USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.036) USER MOD Set 1.2: A 83 MET CE :methyl 172:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 SER OG : rot 40:sc= 0.548 USER MOD Set 2.2: A 20 HIS : no HE2:sc= -0.0862 X(o=0.46,f=0.016) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0652 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.224 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 40:sc= 0.0504 USER MOD Single : A 17 GLN : amide:sc= -1.27 K(o=-1.3,f=-1.9) USER MOD Single : A 23 LYS NZ :NH3+ 150:sc= -1.91! (180deg=-5.32!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 37:sc= 0.316 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc=-0.00201 USER MOD Single : A 47 TYR OH : rot -143:sc= 0.904 USER MOD Single : A 49 ASN : amide:sc= -1.85! C(o=-1.8!,f=-3.7!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= 0.00351 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= -0.0424 (180deg=-0.351) USER MOD Single : A 72 ASN : amide:sc= 0.107 K(o=0.11,f=-8.8!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -41:sc= 0.361 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 92 SER OG : rot 180:sc=-0.00665 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.645 -17.331 -14.377 1.00 0.00 N ATOM 2 CA GLY A 1 -30.459 -18.129 -14.632 1.00 0.00 C ATOM 3 C GLY A 1 -29.239 -17.603 -13.902 1.00 0.00 C ATOM 4 O GLY A 1 -29.054 -17.871 -12.715 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.451 -17.731 -14.898 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.854 -17.336 -13.358 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.480 -16.354 -14.692 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.645 -19.159 -14.327 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.259 -18.145 -15.703 1.00 0.00 H new ATOM 8 N SER A 2 -28.403 -16.853 -14.613 1.00 0.00 N ATOM 9 CA SER A 2 -27.191 -16.293 -14.027 1.00 0.00 C ATOM 10 C SER A 2 -26.282 -17.399 -13.498 1.00 0.00 C ATOM 11 O SER A 2 -25.700 -17.277 -12.421 1.00 0.00 O ATOM 12 CB SER A 2 -27.546 -15.325 -12.897 1.00 0.00 C ATOM 13 OG SER A 2 -28.152 -14.149 -13.405 1.00 0.00 O ATOM 0 H SER A 2 -28.543 -16.619 -15.596 1.00 0.00 H new ATOM 0 HA SER A 2 -26.657 -15.750 -14.807 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.223 -15.813 -12.195 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.645 -15.063 -12.342 1.00 0.00 H new ATOM 0 HG SER A 2 -28.371 -13.547 -12.663 1.00 0.00 H new ATOM 19 N SER A 3 -26.166 -18.478 -14.265 1.00 0.00 N ATOM 20 CA SER A 3 -25.332 -19.608 -13.873 1.00 0.00 C ATOM 21 C SER A 3 -24.549 -20.146 -15.068 1.00 0.00 C ATOM 22 O SER A 3 -24.894 -19.884 -16.219 1.00 0.00 O ATOM 23 CB SER A 3 -26.193 -20.720 -13.271 1.00 0.00 C ATOM 24 OG SER A 3 -25.395 -21.818 -12.862 1.00 0.00 O ATOM 0 H SER A 3 -26.639 -18.594 -15.161 1.00 0.00 H new ATOM 0 HA SER A 3 -24.622 -19.261 -13.122 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.749 -20.332 -12.417 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.927 -21.053 -14.004 1.00 0.00 H new ATOM 0 HG SER A 3 -25.968 -22.514 -12.479 1.00 0.00 H new ATOM 30 N GLY A 4 -23.492 -20.901 -14.783 1.00 0.00 N ATOM 31 CA GLY A 4 -22.676 -21.464 -15.843 1.00 0.00 C ATOM 32 C GLY A 4 -21.367 -20.721 -16.024 1.00 0.00 C ATOM 33 O GLY A 4 -20.296 -21.327 -16.019 1.00 0.00 O ATOM 0 H GLY A 4 -23.187 -21.133 -13.838 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.468 -22.511 -15.620 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.235 -21.442 -16.778 1.00 0.00 H new ATOM 37 N SER A 5 -21.454 -19.405 -16.186 1.00 0.00 N ATOM 38 CA SER A 5 -20.267 -18.578 -16.375 1.00 0.00 C ATOM 39 C SER A 5 -20.248 -17.419 -15.384 1.00 0.00 C ATOM 40 O SER A 5 -20.966 -16.433 -15.552 1.00 0.00 O ATOM 41 CB SER A 5 -20.217 -18.041 -17.807 1.00 0.00 C ATOM 42 OG SER A 5 -19.673 -19.003 -18.694 1.00 0.00 O ATOM 0 H SER A 5 -22.333 -18.888 -16.190 1.00 0.00 H new ATOM 0 HA SER A 5 -19.389 -19.199 -16.196 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.221 -17.769 -18.132 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.615 -17.133 -17.837 1.00 0.00 H new ATOM 0 HG SER A 5 -19.654 -18.636 -19.603 1.00 0.00 H new ATOM 48 N SER A 6 -19.423 -17.546 -14.350 1.00 0.00 N ATOM 49 CA SER A 6 -19.313 -16.511 -13.328 1.00 0.00 C ATOM 50 C SER A 6 -18.747 -15.223 -13.919 1.00 0.00 C ATOM 51 O SER A 6 -19.352 -14.158 -13.807 1.00 0.00 O ATOM 52 CB SER A 6 -18.424 -16.992 -12.179 1.00 0.00 C ATOM 53 OG SER A 6 -17.105 -17.251 -12.628 1.00 0.00 O ATOM 0 H SER A 6 -18.821 -18.355 -14.197 1.00 0.00 H new ATOM 0 HA SER A 6 -20.312 -16.306 -12.944 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.402 -16.238 -11.392 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.847 -17.897 -11.742 1.00 0.00 H new ATOM 0 HG SER A 6 -16.557 -17.555 -11.875 1.00 0.00 H new ATOM 59 N GLY A 7 -17.581 -15.330 -14.549 1.00 0.00 N ATOM 60 CA GLY A 7 -16.952 -14.167 -15.147 1.00 0.00 C ATOM 61 C GLY A 7 -17.469 -13.883 -16.544 1.00 0.00 C ATOM 62 O GLY A 7 -17.838 -14.802 -17.274 1.00 0.00 O ATOM 0 H GLY A 7 -17.061 -16.201 -14.656 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.127 -13.297 -14.514 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.874 -14.321 -15.186 1.00 0.00 H new ATOM 66 N GLU A 8 -17.496 -12.607 -16.915 1.00 0.00 N ATOM 67 CA GLU A 8 -17.974 -12.206 -18.233 1.00 0.00 C ATOM 68 C GLU A 8 -17.527 -10.785 -18.565 1.00 0.00 C ATOM 69 O GLU A 8 -17.507 -9.911 -17.698 1.00 0.00 O ATOM 70 CB GLU A 8 -19.500 -12.299 -18.296 1.00 0.00 C ATOM 71 CG GLU A 8 -20.050 -12.315 -19.713 1.00 0.00 C ATOM 72 CD GLU A 8 -21.555 -12.501 -19.752 1.00 0.00 C ATOM 73 OE1 GLU A 8 -22.220 -12.168 -18.748 1.00 0.00 O ATOM 74 OE2 GLU A 8 -22.067 -12.978 -20.786 1.00 0.00 O ATOM 0 H GLU A 8 -17.193 -11.834 -16.322 1.00 0.00 H new ATOM 0 HA GLU A 8 -17.544 -12.885 -18.969 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -19.822 -13.203 -17.780 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -19.930 -11.454 -17.758 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -19.790 -11.381 -20.210 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -19.574 -13.118 -20.275 1.00 0.00 H new ATOM 81 N ILE A 9 -17.167 -10.563 -19.824 1.00 0.00 N ATOM 82 CA ILE A 9 -16.720 -9.250 -20.271 1.00 0.00 C ATOM 83 C ILE A 9 -17.873 -8.452 -20.871 1.00 0.00 C ATOM 84 O ILE A 9 -18.511 -8.889 -21.828 1.00 0.00 O ATOM 85 CB ILE A 9 -15.592 -9.363 -21.313 1.00 0.00 C ATOM 86 CG1 ILE A 9 -14.394 -10.109 -20.721 1.00 0.00 C ATOM 87 CG2 ILE A 9 -15.176 -7.982 -21.796 1.00 0.00 C ATOM 88 CD1 ILE A 9 -13.506 -10.750 -21.764 1.00 0.00 C ATOM 0 H ILE A 9 -17.176 -11.276 -20.553 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.340 -8.730 -19.392 1.00 0.00 H new ATOM 0 HB ILE A 9 -15.963 -9.929 -22.168 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.800 -9.414 -20.128 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -14.756 -10.880 -20.041 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.378 -8.079 -22.532 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -16.031 -7.483 -22.252 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.820 -7.393 -20.951 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.678 -11.261 -21.273 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.085 -11.470 -22.342 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.114 -9.981 -22.430 1.00 0.00 H new ATOM 100 N GLU A 10 -18.132 -7.278 -20.303 1.00 0.00 N ATOM 101 CA GLU A 10 -19.207 -6.418 -20.783 1.00 0.00 C ATOM 102 C GLU A 10 -19.120 -5.033 -20.149 1.00 0.00 C ATOM 103 O GLU A 10 -18.379 -4.824 -19.188 1.00 0.00 O ATOM 104 CB GLU A 10 -20.568 -7.047 -20.476 1.00 0.00 C ATOM 105 CG GLU A 10 -21.670 -6.607 -21.426 1.00 0.00 C ATOM 106 CD GLU A 10 -22.940 -7.420 -21.263 1.00 0.00 C ATOM 107 OE1 GLU A 10 -22.852 -8.568 -20.779 1.00 0.00 O ATOM 108 OE2 GLU A 10 -24.021 -6.907 -21.618 1.00 0.00 O ATOM 0 H GLU A 10 -17.612 -6.901 -19.510 1.00 0.00 H new ATOM 0 HA GLU A 10 -19.099 -6.312 -21.862 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -20.475 -8.132 -20.518 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -20.855 -6.791 -19.456 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.893 -5.554 -21.255 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -21.316 -6.695 -22.453 1.00 0.00 H new ATOM 115 N ILE A 11 -19.882 -4.090 -20.695 1.00 0.00 N ATOM 116 CA ILE A 11 -19.891 -2.726 -20.183 1.00 0.00 C ATOM 117 C ILE A 11 -20.806 -2.600 -18.970 1.00 0.00 C ATOM 118 O ILE A 11 -20.566 -1.782 -18.081 1.00 0.00 O ATOM 119 CB ILE A 11 -20.345 -1.724 -21.261 1.00 0.00 C ATOM 120 CG1 ILE A 11 -19.447 -1.826 -22.495 1.00 0.00 C ATOM 121 CG2 ILE A 11 -20.332 -0.307 -20.706 1.00 0.00 C ATOM 122 CD1 ILE A 11 -20.109 -1.345 -23.767 1.00 0.00 C ATOM 0 H ILE A 11 -20.500 -4.246 -21.491 1.00 0.00 H new ATOM 0 HA ILE A 11 -18.868 -2.492 -19.889 1.00 0.00 H new ATOM 0 HB ILE A 11 -21.365 -1.969 -21.556 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -18.541 -1.244 -22.324 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -19.139 -2.863 -22.625 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -20.655 0.390 -21.479 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -21.009 -0.244 -19.854 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -19.322 -0.051 -20.386 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -19.414 -1.447 -24.600 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -20.999 -1.943 -23.962 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -20.392 -0.298 -23.656 1.00 0.00 H new ATOM 134 N CYS A 12 -21.854 -3.415 -18.940 1.00 0.00 N ATOM 135 CA CYS A 12 -22.806 -3.396 -17.834 1.00 0.00 C ATOM 136 C CYS A 12 -22.081 -3.390 -16.493 1.00 0.00 C ATOM 137 O CYS A 12 -22.226 -2.473 -15.685 1.00 0.00 O ATOM 138 CB CYS A 12 -23.740 -4.604 -17.918 1.00 0.00 C ATOM 139 SG CYS A 12 -25.292 -4.279 -18.787 1.00 0.00 S ATOM 0 H CYS A 12 -22.067 -4.097 -19.668 1.00 0.00 H new ATOM 0 HA CYS A 12 -23.397 -2.483 -17.910 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -23.218 -5.419 -18.421 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -23.966 -4.946 -16.908 1.00 0.00 H new ATOM 0 HG CYS A 12 -26.013 -5.361 -18.808 1.00 0.00 H new ATOM 145 N PRO A 13 -21.282 -4.439 -16.247 1.00 0.00 N ATOM 146 CA PRO A 13 -20.519 -4.579 -15.003 1.00 0.00 C ATOM 147 C PRO A 13 -19.384 -3.566 -14.902 1.00 0.00 C ATOM 148 O PRO A 13 -19.292 -2.638 -15.707 1.00 0.00 O ATOM 149 CB PRO A 13 -19.960 -6.002 -15.087 1.00 0.00 C ATOM 150 CG PRO A 13 -19.901 -6.300 -16.546 1.00 0.00 C ATOM 151 CD PRO A 13 -21.061 -5.569 -17.165 1.00 0.00 C ATOM 0 HA PRO A 13 -21.138 -4.401 -14.124 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -18.973 -6.067 -14.629 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -20.602 -6.711 -14.564 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -18.956 -5.966 -16.975 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -19.973 -7.372 -16.729 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -20.829 -5.228 -18.174 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -21.943 -6.205 -17.239 1.00 0.00 H new ATOM 159 N LYS A 14 -18.520 -3.749 -13.910 1.00 0.00 N ATOM 160 CA LYS A 14 -17.388 -2.853 -13.704 1.00 0.00 C ATOM 161 C LYS A 14 -16.192 -3.284 -14.546 1.00 0.00 C ATOM 162 O LYS A 14 -16.252 -4.285 -15.261 1.00 0.00 O ATOM 163 CB LYS A 14 -16.999 -2.821 -12.224 1.00 0.00 C ATOM 164 CG LYS A 14 -16.565 -4.171 -11.680 1.00 0.00 C ATOM 165 CD LYS A 14 -16.537 -4.177 -10.161 1.00 0.00 C ATOM 166 CE LYS A 14 -16.673 -5.587 -9.607 1.00 0.00 C ATOM 167 NZ LYS A 14 -16.364 -5.642 -8.151 1.00 0.00 N ATOM 0 H LYS A 14 -18.582 -4.511 -13.235 1.00 0.00 H new ATOM 0 HA LYS A 14 -17.687 -1.853 -14.016 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.189 -2.105 -12.085 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -17.847 -2.460 -11.642 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.247 -4.944 -12.035 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.575 -4.418 -12.064 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.603 -3.736 -9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.346 -3.555 -9.779 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.687 -5.948 -9.777 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.002 -6.256 -10.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.468 -6.619 -7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.388 -5.322 -7.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.021 -5.024 -7.633 1.00 0.00 H new ATOM 181 N VAL A 15 -15.106 -2.523 -14.457 1.00 0.00 N ATOM 182 CA VAL A 15 -13.894 -2.829 -15.209 1.00 0.00 C ATOM 183 C VAL A 15 -12.647 -2.529 -14.385 1.00 0.00 C ATOM 184 O VAL A 15 -12.709 -1.832 -13.372 1.00 0.00 O ATOM 185 CB VAL A 15 -13.833 -2.028 -16.523 1.00 0.00 C ATOM 186 CG1 VAL A 15 -14.956 -2.450 -17.458 1.00 0.00 C ATOM 187 CG2 VAL A 15 -13.897 -0.535 -16.240 1.00 0.00 C ATOM 0 H VAL A 15 -15.040 -1.690 -13.872 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.925 -3.893 -15.442 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.884 -2.241 -17.014 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.897 -1.873 -18.381 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.860 -3.511 -17.686 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -15.917 -2.268 -16.977 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -13.853 0.016 -17.180 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.830 -0.302 -15.726 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.055 -0.247 -15.611 1.00 0.00 H new ATOM 197 N THR A 16 -11.511 -3.061 -14.827 1.00 0.00 N ATOM 198 CA THR A 16 -10.248 -2.852 -14.132 1.00 0.00 C ATOM 199 C THR A 16 -9.418 -1.768 -14.811 1.00 0.00 C ATOM 200 O THR A 16 -9.143 -1.845 -16.008 1.00 0.00 O ATOM 201 CB THR A 16 -9.421 -4.150 -14.067 1.00 0.00 C ATOM 202 OG1 THR A 16 -9.423 -4.797 -15.344 1.00 0.00 O ATOM 203 CG2 THR A 16 -9.978 -5.095 -13.013 1.00 0.00 C ATOM 0 H THR A 16 -11.441 -3.640 -15.664 1.00 0.00 H new ATOM 0 HA THR A 16 -10.495 -2.535 -13.119 1.00 0.00 H new ATOM 0 HB THR A 16 -8.398 -3.889 -13.794 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.338 -4.124 -16.052 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.378 -6.004 -12.986 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.947 -4.610 -12.037 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.009 -5.348 -13.260 1.00 0.00 H new ATOM 211 N GLN A 17 -9.024 -0.761 -14.040 1.00 0.00 N ATOM 212 CA GLN A 17 -8.225 0.339 -14.569 1.00 0.00 C ATOM 213 C GLN A 17 -6.831 0.346 -13.950 1.00 0.00 C ATOM 214 O GLN A 17 -6.682 0.262 -12.731 1.00 0.00 O ATOM 215 CB GLN A 17 -8.921 1.675 -14.304 1.00 0.00 C ATOM 216 CG GLN A 17 -9.301 1.885 -12.848 1.00 0.00 C ATOM 217 CD GLN A 17 -9.795 3.292 -12.570 1.00 0.00 C ATOM 218 OE1 GLN A 17 -9.679 4.180 -13.415 1.00 0.00 O ATOM 219 NE2 GLN A 17 -10.348 3.501 -11.382 1.00 0.00 N ATOM 0 H GLN A 17 -9.244 -0.683 -13.047 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.124 0.197 -15.645 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.265 2.486 -14.620 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.820 1.735 -14.918 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.077 1.171 -12.572 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.437 1.676 -12.217 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.423 2.735 -10.713 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.698 4.428 -11.138 1.00 0.00 H new ATOM 228 N SER A 18 -5.813 0.448 -14.799 1.00 0.00 N ATOM 229 CA SER A 18 -4.431 0.462 -14.336 1.00 0.00 C ATOM 230 C SER A 18 -3.909 1.892 -14.227 1.00 0.00 C ATOM 231 O SER A 18 -3.613 2.534 -15.235 1.00 0.00 O ATOM 232 CB SER A 18 -3.544 -0.345 -15.286 1.00 0.00 C ATOM 233 OG SER A 18 -3.656 0.131 -16.616 1.00 0.00 O ATOM 0 H SER A 18 -5.920 0.522 -15.811 1.00 0.00 H new ATOM 0 HA SER A 18 -4.401 0.006 -13.347 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.506 -0.283 -14.960 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.827 -1.397 -15.248 1.00 0.00 H new ATOM 0 HG SER A 18 -3.698 1.110 -16.611 1.00 0.00 H new ATOM 239 N ILE A 19 -3.800 2.383 -12.997 1.00 0.00 N ATOM 240 CA ILE A 19 -3.314 3.736 -12.755 1.00 0.00 C ATOM 241 C ILE A 19 -1.809 3.743 -12.512 1.00 0.00 C ATOM 242 O ILE A 19 -1.318 3.119 -11.571 1.00 0.00 O ATOM 243 CB ILE A 19 -4.021 4.381 -11.549 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.525 4.490 -11.810 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.428 5.752 -11.259 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.294 3.240 -11.443 1.00 0.00 C ATOM 0 H ILE A 19 -4.042 1.864 -12.153 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.538 4.317 -13.650 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.868 3.748 -10.675 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.924 5.332 -11.244 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.687 4.710 -12.865 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.938 6.196 -10.404 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.366 5.649 -11.035 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.554 6.395 -12.130 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.353 3.389 -11.654 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.922 2.399 -12.028 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.162 3.030 -10.382 1.00 0.00 H new ATOM 258 N HIS A 20 -1.080 4.456 -13.366 1.00 0.00 N ATOM 259 CA HIS A 20 0.370 4.547 -13.242 1.00 0.00 C ATOM 260 C HIS A 20 0.797 5.968 -12.888 1.00 0.00 C ATOM 261 O HIS A 20 0.740 6.870 -13.725 1.00 0.00 O ATOM 262 CB HIS A 20 1.043 4.110 -14.544 1.00 0.00 C ATOM 263 CG HIS A 20 0.605 2.759 -15.020 1.00 0.00 C ATOM 264 ND1 HIS A 20 1.334 1.609 -14.796 1.00 0.00 N ATOM 265 CD2 HIS A 20 -0.495 2.376 -15.709 1.00 0.00 C ATOM 266 CE1 HIS A 20 0.702 0.579 -15.330 1.00 0.00 C ATOM 267 NE2 HIS A 20 -0.412 1.018 -15.889 1.00 0.00 N ATOM 0 H HIS A 20 -1.470 4.978 -14.150 1.00 0.00 H new ATOM 0 HA HIS A 20 0.683 3.881 -12.438 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.829 4.846 -15.319 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.123 4.103 -14.400 1.00 0.00 H new ATOM 0 HD1 HIS A 20 2.222 1.562 -14.296 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.291 3.020 -16.053 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.039 -0.447 -15.313 1.00 0.00 H new ATOM 276 N ILE A 21 1.223 6.160 -11.644 1.00 0.00 N ATOM 277 CA ILE A 21 1.659 7.472 -11.180 1.00 0.00 C ATOM 278 C ILE A 21 3.175 7.607 -11.262 1.00 0.00 C ATOM 279 O ILE A 21 3.908 6.649 -11.017 1.00 0.00 O ATOM 280 CB ILE A 21 1.208 7.735 -9.731 1.00 0.00 C ATOM 281 CG1 ILE A 21 -0.259 7.341 -9.551 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.418 9.197 -9.369 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.644 7.085 -8.111 1.00 0.00 C ATOM 0 H ILE A 21 1.276 5.424 -10.939 1.00 0.00 H new ATOM 0 HA ILE A 21 1.195 8.209 -11.835 1.00 0.00 H new ATOM 0 HB ILE A 21 1.813 7.124 -9.061 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.891 8.133 -9.952 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.460 6.444 -10.137 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.095 9.368 -8.342 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.475 9.447 -9.463 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.835 9.826 -10.042 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.698 6.811 -8.059 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.037 6.272 -7.711 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.475 7.987 -7.523 1.00 0.00 H new ATOM 295 N GLU A 22 3.639 8.805 -11.606 1.00 0.00 N ATOM 296 CA GLU A 22 5.070 9.065 -11.719 1.00 0.00 C ATOM 297 C GLU A 22 5.434 10.393 -11.060 1.00 0.00 C ATOM 298 O GLU A 22 4.773 11.409 -11.276 1.00 0.00 O ATOM 299 CB GLU A 22 5.494 9.079 -13.189 1.00 0.00 C ATOM 300 CG GLU A 22 5.908 7.715 -13.716 1.00 0.00 C ATOM 301 CD GLU A 22 7.320 7.338 -13.312 1.00 0.00 C ATOM 302 OE1 GLU A 22 7.773 7.797 -12.243 1.00 0.00 O ATOM 303 OE2 GLU A 22 7.971 6.583 -14.064 1.00 0.00 O ATOM 0 H GLU A 22 3.046 9.609 -11.811 1.00 0.00 H new ATOM 0 HA GLU A 22 5.601 8.265 -11.203 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.669 9.457 -13.793 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.324 9.774 -13.312 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.214 6.960 -13.345 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.832 7.711 -14.803 1.00 0.00 H new ATOM 310 N LYS A 23 6.491 10.377 -10.255 1.00 0.00 N ATOM 311 CA LYS A 23 6.946 11.578 -9.565 1.00 0.00 C ATOM 312 C LYS A 23 8.330 11.994 -10.052 1.00 0.00 C ATOM 313 O LYS A 23 9.275 11.207 -10.013 1.00 0.00 O ATOM 314 CB LYS A 23 6.976 11.341 -8.053 1.00 0.00 C ATOM 315 CG LYS A 23 5.610 11.438 -7.395 1.00 0.00 C ATOM 316 CD LYS A 23 5.727 11.724 -5.907 1.00 0.00 C ATOM 317 CE LYS A 23 4.534 12.516 -5.396 1.00 0.00 C ATOM 318 NZ LYS A 23 3.265 12.090 -6.049 1.00 0.00 N ATOM 0 H LYS A 23 7.049 9.545 -10.064 1.00 0.00 H new ATOM 0 HA LYS A 23 6.245 12.382 -9.787 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.395 10.354 -7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.644 12.069 -7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.030 12.227 -7.874 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.066 10.506 -7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.803 10.784 -5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.644 12.280 -5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.448 12.388 -4.317 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.698 13.578 -5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.472 12.232 -5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.109 12.656 -6.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.327 11.084 -6.305 1.00 0.00 H new ATOM 332 N SER A 24 8.442 13.237 -10.510 1.00 0.00 N ATOM 333 CA SER A 24 9.710 13.757 -11.008 1.00 0.00 C ATOM 334 C SER A 24 10.825 13.532 -9.992 1.00 0.00 C ATOM 335 O SER A 24 11.929 13.118 -10.347 1.00 0.00 O ATOM 336 CB SER A 24 9.585 15.250 -11.322 1.00 0.00 C ATOM 337 OG SER A 24 10.859 15.836 -11.525 1.00 0.00 O ATOM 0 H SER A 24 7.670 13.903 -10.546 1.00 0.00 H new ATOM 0 HA SER A 24 9.961 13.220 -11.923 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.972 15.388 -12.213 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.075 15.756 -10.502 1.00 0.00 H new ATOM 0 HG SER A 24 10.752 16.789 -11.725 1.00 0.00 H new ATOM 343 N ASP A 25 10.529 13.807 -8.726 1.00 0.00 N ATOM 344 CA ASP A 25 11.505 13.633 -7.657 1.00 0.00 C ATOM 345 C ASP A 25 10.947 12.745 -6.550 1.00 0.00 C ATOM 346 O ASP A 25 9.790 12.324 -6.600 1.00 0.00 O ATOM 347 CB ASP A 25 11.911 14.991 -7.082 1.00 0.00 C ATOM 348 CG ASP A 25 12.939 15.700 -7.942 1.00 0.00 C ATOM 349 OD1 ASP A 25 14.036 15.137 -8.141 1.00 0.00 O ATOM 350 OD2 ASP A 25 12.646 16.817 -8.417 1.00 0.00 O ATOM 0 H ASP A 25 9.621 14.151 -8.415 1.00 0.00 H new ATOM 0 HA ASP A 25 12.385 13.147 -8.078 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.026 15.620 -6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.314 14.852 -6.079 1.00 0.00 H new ATOM 355 N THR A 26 11.776 12.461 -5.550 1.00 0.00 N ATOM 356 CA THR A 26 11.366 11.621 -4.432 1.00 0.00 C ATOM 357 C THR A 26 11.542 12.349 -3.104 1.00 0.00 C ATOM 358 O THR A 26 10.567 12.771 -2.483 1.00 0.00 O ATOM 359 CB THR A 26 12.168 10.306 -4.394 1.00 0.00 C ATOM 360 OG1 THR A 26 13.570 10.589 -4.323 1.00 0.00 O ATOM 361 CG2 THR A 26 11.878 9.459 -5.624 1.00 0.00 C ATOM 0 H THR A 26 12.736 12.801 -5.492 1.00 0.00 H new ATOM 0 HA THR A 26 10.311 11.390 -4.580 1.00 0.00 H new ATOM 0 HB THR A 26 11.865 9.747 -3.508 1.00 0.00 H new ATOM 0 HG1 THR A 26 14.073 9.748 -4.297 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.456 8.536 -5.575 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.815 9.220 -5.659 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.155 10.013 -6.521 1.00 0.00 H new ATOM 369 N ALA A 27 12.791 12.493 -2.675 1.00 0.00 N ATOM 370 CA ALA A 27 13.095 13.173 -1.421 1.00 0.00 C ATOM 371 C ALA A 27 12.280 14.454 -1.281 1.00 0.00 C ATOM 372 O ALA A 27 12.006 14.908 -0.170 1.00 0.00 O ATOM 373 CB ALA A 27 14.583 13.478 -1.333 1.00 0.00 C ATOM 0 H ALA A 27 13.609 12.148 -3.177 1.00 0.00 H new ATOM 0 HA ALA A 27 12.823 12.509 -0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.795 13.986 -0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.149 12.547 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.873 14.120 -2.165 1.00 0.00 H new ATOM 379 N ALA A 28 11.897 15.033 -2.414 1.00 0.00 N ATOM 380 CA ALA A 28 11.113 16.262 -2.417 1.00 0.00 C ATOM 381 C ALA A 28 9.628 15.966 -2.597 1.00 0.00 C ATOM 382 O ALA A 28 8.802 16.364 -1.777 1.00 0.00 O ATOM 383 CB ALA A 28 11.603 17.199 -3.511 1.00 0.00 C ATOM 0 H ALA A 28 12.117 14.671 -3.342 1.00 0.00 H new ATOM 0 HA ALA A 28 11.245 16.749 -1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.008 18.112 -3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.650 17.446 -3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.502 16.711 -4.480 1.00 0.00 H new ATOM 389 N ASP A 29 9.297 15.265 -3.676 1.00 0.00 N ATOM 390 CA ASP A 29 7.911 14.914 -3.964 1.00 0.00 C ATOM 391 C ASP A 29 7.546 13.575 -3.332 1.00 0.00 C ATOM 392 O ASP A 29 8.238 12.575 -3.527 1.00 0.00 O ATOM 393 CB ASP A 29 7.680 14.859 -5.475 1.00 0.00 C ATOM 394 CG ASP A 29 7.544 16.238 -6.091 1.00 0.00 C ATOM 395 OD1 ASP A 29 6.622 16.979 -5.691 1.00 0.00 O ATOM 396 OD2 ASP A 29 8.361 16.577 -6.973 1.00 0.00 O ATOM 0 H ASP A 29 9.969 14.929 -4.365 1.00 0.00 H new ATOM 0 HA ASP A 29 7.271 15.684 -3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.510 14.334 -5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.779 14.282 -5.681 1.00 0.00 H new ATOM 401 N THR A 30 6.455 13.562 -2.573 1.00 0.00 N ATOM 402 CA THR A 30 6.000 12.346 -1.910 1.00 0.00 C ATOM 403 C THR A 30 4.483 12.217 -1.980 1.00 0.00 C ATOM 404 O THR A 30 3.754 13.129 -1.590 1.00 0.00 O ATOM 405 CB THR A 30 6.439 12.313 -0.434 1.00 0.00 C ATOM 406 OG1 THR A 30 6.517 13.646 0.084 1.00 0.00 O ATOM 407 CG2 THR A 30 7.788 11.626 -0.286 1.00 0.00 C ATOM 0 H THR A 30 5.870 14.380 -2.402 1.00 0.00 H new ATOM 0 HA THR A 30 6.458 11.509 -2.436 1.00 0.00 H new ATOM 0 HB THR A 30 5.697 11.747 0.130 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.795 13.616 1.023 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.077 11.615 0.765 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.717 10.602 -0.654 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.538 12.168 -0.863 1.00 0.00 H new ATOM 415 N TYR A 31 4.013 11.080 -2.480 1.00 0.00 N ATOM 416 CA TYR A 31 2.581 10.832 -2.603 1.00 0.00 C ATOM 417 C TYR A 31 1.845 11.256 -1.336 1.00 0.00 C ATOM 418 O TYR A 31 2.462 11.549 -0.313 1.00 0.00 O ATOM 419 CB TYR A 31 2.321 9.352 -2.887 1.00 0.00 C ATOM 420 CG TYR A 31 3.124 8.807 -4.046 1.00 0.00 C ATOM 421 CD1 TYR A 31 2.916 9.270 -5.340 1.00 0.00 C ATOM 422 CD2 TYR A 31 4.092 7.830 -3.848 1.00 0.00 C ATOM 423 CE1 TYR A 31 3.646 8.774 -6.402 1.00 0.00 C ATOM 424 CE2 TYR A 31 4.828 7.330 -4.904 1.00 0.00 C ATOM 425 CZ TYR A 31 4.602 7.805 -6.179 1.00 0.00 C ATOM 426 OH TYR A 31 5.333 7.309 -7.235 1.00 0.00 O ATOM 0 H TYR A 31 4.603 10.315 -2.807 1.00 0.00 H new ATOM 0 HA TYR A 31 2.205 11.426 -3.436 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.551 8.773 -1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.260 9.211 -3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.170 10.031 -5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.272 7.455 -2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.469 9.143 -7.402 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.577 6.571 -4.732 1.00 0.00 H new ATOM 0 HH TYR A 31 5.528 8.033 -7.867 1.00 0.00 H new ATOM 436 N GLY A 32 0.517 11.286 -1.413 1.00 0.00 N ATOM 437 CA GLY A 32 -0.284 11.675 -0.267 1.00 0.00 C ATOM 438 C GLY A 32 -1.428 10.716 -0.008 1.00 0.00 C ATOM 439 O GLY A 32 -2.321 11.004 0.790 1.00 0.00 O ATOM 0 H GLY A 32 -0.018 11.048 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.352 11.725 0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.683 12.676 -0.429 1.00 0.00 H new ATOM 443 N PHE A 33 -1.405 9.572 -0.685 1.00 0.00 N ATOM 444 CA PHE A 33 -2.451 8.568 -0.526 1.00 0.00 C ATOM 445 C PHE A 33 -1.956 7.397 0.318 1.00 0.00 C ATOM 446 O PHE A 33 -0.797 6.994 0.222 1.00 0.00 O ATOM 447 CB PHE A 33 -2.916 8.065 -1.894 1.00 0.00 C ATOM 448 CG PHE A 33 -2.138 6.883 -2.395 1.00 0.00 C ATOM 449 CD1 PHE A 33 -0.780 6.989 -2.652 1.00 0.00 C ATOM 450 CD2 PHE A 33 -2.763 5.664 -2.607 1.00 0.00 C ATOM 451 CE1 PHE A 33 -0.062 5.903 -3.114 1.00 0.00 C ATOM 452 CE2 PHE A 33 -2.049 4.574 -3.068 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.696 4.693 -3.321 1.00 0.00 C ATOM 0 H PHE A 33 -0.674 9.317 -1.349 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.292 9.033 -0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.971 7.796 -1.834 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.834 8.876 -2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.278 7.931 -2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.820 5.565 -2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.995 6.000 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.548 3.630 -3.230 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.135 3.842 -3.680 1.00 0.00 H new ATOM 463 N SER A 34 -2.844 6.855 1.145 1.00 0.00 N ATOM 464 CA SER A 34 -2.498 5.733 2.010 1.00 0.00 C ATOM 465 C SER A 34 -3.314 4.496 1.647 1.00 0.00 C ATOM 466 O SER A 34 -4.222 4.558 0.817 1.00 0.00 O ATOM 467 CB SER A 34 -2.733 6.100 3.476 1.00 0.00 C ATOM 468 OG SER A 34 -1.828 7.105 3.901 1.00 0.00 O ATOM 0 H SER A 34 -3.809 7.175 1.234 1.00 0.00 H new ATOM 0 HA SER A 34 -1.442 5.506 1.865 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.757 6.449 3.607 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.616 5.214 4.099 1.00 0.00 H new ATOM 0 HG SER A 34 -2.000 7.323 4.841 1.00 0.00 H new ATOM 474 N LEU A 35 -2.985 3.373 2.275 1.00 0.00 N ATOM 475 CA LEU A 35 -3.686 2.119 2.020 1.00 0.00 C ATOM 476 C LEU A 35 -3.950 1.368 3.321 1.00 0.00 C ATOM 477 O LEU A 35 -3.112 1.355 4.222 1.00 0.00 O ATOM 478 CB LEU A 35 -2.872 1.242 1.067 1.00 0.00 C ATOM 479 CG LEU A 35 -2.577 1.839 -0.309 1.00 0.00 C ATOM 480 CD1 LEU A 35 -1.535 1.007 -1.040 1.00 0.00 C ATOM 481 CD2 LEU A 35 -3.853 1.940 -1.131 1.00 0.00 C ATOM 0 H LEU A 35 -2.237 3.305 2.965 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.645 2.355 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.924 1.002 1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.405 0.302 0.926 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.177 2.844 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.338 1.447 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.613 0.986 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.906 -0.010 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.624 2.367 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.282 0.946 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.569 2.579 -0.614 1.00 0.00 H new ATOM 493 N SER A 36 -5.120 0.743 3.410 1.00 0.00 N ATOM 494 CA SER A 36 -5.495 -0.010 4.602 1.00 0.00 C ATOM 495 C SER A 36 -5.717 -1.481 4.267 1.00 0.00 C ATOM 496 O SER A 36 -6.415 -1.813 3.309 1.00 0.00 O ATOM 497 CB SER A 36 -6.762 0.580 5.225 1.00 0.00 C ATOM 498 OG SER A 36 -7.106 -0.099 6.420 1.00 0.00 O ATOM 0 H SER A 36 -5.824 0.743 2.672 1.00 0.00 H new ATOM 0 HA SER A 36 -4.678 0.062 5.320 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.609 1.638 5.436 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.586 0.512 4.515 1.00 0.00 H new ATOM 0 HG SER A 36 -7.918 0.298 6.800 1.00 0.00 H new ATOM 504 N SER A 37 -5.118 -2.360 5.065 1.00 0.00 N ATOM 505 CA SER A 37 -5.246 -3.797 4.852 1.00 0.00 C ATOM 506 C SER A 37 -6.408 -4.364 5.661 1.00 0.00 C ATOM 507 O SER A 37 -6.501 -4.151 6.870 1.00 0.00 O ATOM 508 CB SER A 37 -3.947 -4.508 5.237 1.00 0.00 C ATOM 509 OG SER A 37 -2.824 -3.867 4.658 1.00 0.00 O ATOM 0 H SER A 37 -4.540 -2.102 5.865 1.00 0.00 H new ATOM 0 HA SER A 37 -5.445 -3.967 3.794 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.843 -4.520 6.322 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.986 -5.547 4.909 1.00 0.00 H new ATOM 0 HG SER A 37 -2.006 -4.339 4.920 1.00 0.00 H new ATOM 515 N VAL A 38 -7.294 -5.088 4.984 1.00 0.00 N ATOM 516 CA VAL A 38 -8.451 -5.688 5.638 1.00 0.00 C ATOM 517 C VAL A 38 -8.562 -7.172 5.307 1.00 0.00 C ATOM 518 O VAL A 38 -8.720 -7.548 4.147 1.00 0.00 O ATOM 519 CB VAL A 38 -9.757 -4.982 5.227 1.00 0.00 C ATOM 520 CG1 VAL A 38 -10.944 -5.585 5.962 1.00 0.00 C ATOM 521 CG2 VAL A 38 -9.660 -3.487 5.489 1.00 0.00 C ATOM 0 H VAL A 38 -7.233 -5.273 3.983 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.305 -5.569 6.712 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.909 -5.131 4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.858 -5.074 5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.023 -6.644 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.803 -5.470 7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.591 -3.005 5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.484 -3.314 6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.835 -3.069 4.912 1.00 0.00 H new ATOM 531 N GLU A 39 -8.478 -8.010 6.336 1.00 0.00 N ATOM 532 CA GLU A 39 -8.568 -9.454 6.153 1.00 0.00 C ATOM 533 C GLU A 39 -10.021 -9.917 6.191 1.00 0.00 C ATOM 534 O GLU A 39 -10.694 -9.799 7.214 1.00 0.00 O ATOM 535 CB GLU A 39 -7.762 -10.178 7.233 1.00 0.00 C ATOM 536 CG GLU A 39 -7.207 -11.519 6.782 1.00 0.00 C ATOM 537 CD GLU A 39 -7.023 -12.490 7.932 1.00 0.00 C ATOM 538 OE1 GLU A 39 -6.410 -12.098 8.947 1.00 0.00 O ATOM 539 OE2 GLU A 39 -7.490 -13.642 7.817 1.00 0.00 O ATOM 0 H GLU A 39 -8.348 -7.714 7.303 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.152 -9.698 5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.936 -9.540 7.547 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.396 -10.332 8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.880 -11.957 6.045 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.249 -11.363 6.286 1.00 0.00 H new ATOM 546 N GLU A 40 -10.498 -10.444 5.067 1.00 0.00 N ATOM 547 CA GLU A 40 -11.872 -10.923 4.972 1.00 0.00 C ATOM 548 C GLU A 40 -11.912 -12.446 4.886 1.00 0.00 C ATOM 549 O GLU A 40 -11.705 -13.024 3.818 1.00 0.00 O ATOM 550 CB GLU A 40 -12.564 -10.314 3.750 1.00 0.00 C ATOM 551 CG GLU A 40 -14.067 -10.165 3.914 1.00 0.00 C ATOM 552 CD GLU A 40 -14.782 -9.968 2.592 1.00 0.00 C ATOM 553 OE1 GLU A 40 -14.682 -10.860 1.724 1.00 0.00 O ATOM 554 OE2 GLU A 40 -15.442 -8.920 2.425 1.00 0.00 O ATOM 0 H GLU A 40 -9.954 -10.550 4.211 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.401 -10.613 5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.130 -9.335 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.362 -10.938 2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.464 -11.051 4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.275 -9.316 4.565 1.00 0.00 H new ATOM 561 N ASP A 41 -12.178 -13.090 6.017 1.00 0.00 N ATOM 562 CA ASP A 41 -12.246 -14.546 6.071 1.00 0.00 C ATOM 563 C ASP A 41 -11.003 -15.171 5.446 1.00 0.00 C ATOM 564 O ASP A 41 -11.097 -16.117 4.665 1.00 0.00 O ATOM 565 CB ASP A 41 -13.500 -15.046 5.352 1.00 0.00 C ATOM 566 CG ASP A 41 -13.855 -16.471 5.730 1.00 0.00 C ATOM 567 OD1 ASP A 41 -13.925 -16.763 6.942 1.00 0.00 O ATOM 568 OD2 ASP A 41 -14.062 -17.293 4.814 1.00 0.00 O ATOM 0 H ASP A 41 -12.350 -12.627 6.909 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.294 -14.845 7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.338 -14.391 5.590 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.346 -14.987 4.275 1.00 0.00 H new ATOM 573 N GLY A 42 -9.837 -14.634 5.795 1.00 0.00 N ATOM 574 CA GLY A 42 -8.592 -15.151 5.258 1.00 0.00 C ATOM 575 C GLY A 42 -8.164 -14.435 3.992 1.00 0.00 C ATOM 576 O GLY A 42 -6.974 -14.362 3.685 1.00 0.00 O ATOM 0 H GLY A 42 -9.733 -13.851 6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.808 -15.054 6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.704 -16.215 5.050 1.00 0.00 H new ATOM 580 N ILE A 43 -9.136 -13.906 3.256 1.00 0.00 N ATOM 581 CA ILE A 43 -8.853 -13.193 2.017 1.00 0.00 C ATOM 582 C ILE A 43 -8.403 -11.763 2.296 1.00 0.00 C ATOM 583 O ILE A 43 -9.218 -10.895 2.607 1.00 0.00 O ATOM 584 CB ILE A 43 -10.085 -13.161 1.093 1.00 0.00 C ATOM 585 CG1 ILE A 43 -10.514 -14.583 0.728 1.00 0.00 C ATOM 586 CG2 ILE A 43 -9.784 -12.355 -0.162 1.00 0.00 C ATOM 587 CD1 ILE A 43 -11.946 -14.678 0.250 1.00 0.00 C ATOM 0 H ILE A 43 -10.126 -13.958 3.496 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.048 -13.733 1.518 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.906 -12.679 1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.853 -14.965 -0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.386 -15.227 1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.664 -12.341 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.521 -11.334 0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.951 -12.811 -0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -12.181 -15.715 0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.616 -14.327 1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -12.075 -14.061 -0.639 1.00 0.00 H new ATOM 599 N ARG A 44 -7.101 -11.526 2.181 1.00 0.00 N ATOM 600 CA ARG A 44 -6.541 -10.201 2.420 1.00 0.00 C ATOM 601 C ARG A 44 -6.870 -9.256 1.268 1.00 0.00 C ATOM 602 O ARG A 44 -6.804 -9.639 0.100 1.00 0.00 O ATOM 603 CB ARG A 44 -5.025 -10.290 2.605 1.00 0.00 C ATOM 604 CG ARG A 44 -4.459 -9.214 3.517 1.00 0.00 C ATOM 605 CD ARG A 44 -3.014 -8.892 3.169 1.00 0.00 C ATOM 606 NE ARG A 44 -2.448 -7.882 4.060 1.00 0.00 N ATOM 607 CZ ARG A 44 -1.151 -7.607 4.128 1.00 0.00 C ATOM 608 NH1 ARG A 44 -0.289 -8.262 3.362 1.00 0.00 N ATOM 609 NH2 ARG A 44 -0.712 -6.674 4.964 1.00 0.00 N ATOM 0 H ARG A 44 -6.414 -12.234 1.924 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.988 -9.804 3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.774 -11.269 3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.544 -10.218 1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.064 -8.311 3.435 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.520 -9.545 4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.416 -9.802 3.226 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.959 -8.539 2.139 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.084 -7.360 4.663 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.622 -8.980 2.718 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.707 -8.048 3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.371 -6.168 5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.285 -6.464 5.015 1.00 0.00 H new ATOM 623 N ARG A 45 -7.223 -8.020 1.605 1.00 0.00 N ATOM 624 CA ARG A 45 -7.563 -7.021 0.599 1.00 0.00 C ATOM 625 C ARG A 45 -7.058 -5.642 1.010 1.00 0.00 C ATOM 626 O ARG A 45 -6.953 -5.336 2.199 1.00 0.00 O ATOM 627 CB ARG A 45 -9.077 -6.978 0.384 1.00 0.00 C ATOM 628 CG ARG A 45 -9.639 -8.240 -0.250 1.00 0.00 C ATOM 629 CD ARG A 45 -9.607 -8.163 -1.768 1.00 0.00 C ATOM 630 NE ARG A 45 -9.759 -9.477 -2.386 1.00 0.00 N ATOM 631 CZ ARG A 45 -9.650 -9.691 -3.693 1.00 0.00 C ATOM 632 NH1 ARG A 45 -9.388 -8.684 -4.514 1.00 0.00 N ATOM 633 NH2 ARG A 45 -9.802 -10.916 -4.180 1.00 0.00 N ATOM 0 H ARG A 45 -7.281 -7.686 2.567 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.078 -7.303 -0.335 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.567 -6.815 1.344 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.321 -6.124 -0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.063 -9.103 0.084 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.665 -8.391 0.086 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.404 -7.505 -2.114 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.665 -7.718 -2.089 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.960 -10.274 -1.782 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.269 -7.741 -4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.305 -8.852 -5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.003 -11.694 -3.551 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.718 -11.080 -5.183 1.00 0.00 H new ATOM 647 N LEU A 46 -6.745 -4.813 0.020 1.00 0.00 N ATOM 648 CA LEU A 46 -6.250 -3.465 0.278 1.00 0.00 C ATOM 649 C LEU A 46 -7.239 -2.417 -0.221 1.00 0.00 C ATOM 650 O LEU A 46 -7.937 -2.630 -1.212 1.00 0.00 O ATOM 651 CB LEU A 46 -4.891 -3.262 -0.395 1.00 0.00 C ATOM 652 CG LEU A 46 -3.665 -3.622 0.445 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.579 -2.730 1.674 1.00 0.00 C ATOM 654 CD2 LEU A 46 -3.709 -5.088 0.851 1.00 0.00 C ATOM 0 H LEU A 46 -6.825 -5.051 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.136 -3.346 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.868 -3.857 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.808 -2.217 -0.693 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.773 -3.459 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.700 -3.001 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.501 -1.688 1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.474 -2.861 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.829 -5.327 1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.608 -5.276 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.722 -5.713 -0.042 1.00 0.00 H new ATOM 666 N TYR A 47 -7.291 -1.284 0.471 1.00 0.00 N ATOM 667 CA TYR A 47 -8.194 -0.202 0.098 1.00 0.00 C ATOM 668 C TYR A 47 -7.547 1.158 0.347 1.00 0.00 C ATOM 669 O TYR A 47 -6.632 1.284 1.160 1.00 0.00 O ATOM 670 CB TYR A 47 -9.502 -0.308 0.884 1.00 0.00 C ATOM 671 CG TYR A 47 -10.228 -1.618 0.678 1.00 0.00 C ATOM 672 CD1 TYR A 47 -9.941 -2.725 1.467 1.00 0.00 C ATOM 673 CD2 TYR A 47 -11.199 -1.750 -0.307 1.00 0.00 C ATOM 674 CE1 TYR A 47 -10.601 -3.925 1.282 1.00 0.00 C ATOM 675 CE2 TYR A 47 -11.865 -2.945 -0.499 1.00 0.00 C ATOM 676 CZ TYR A 47 -11.563 -4.029 0.298 1.00 0.00 C ATOM 677 OH TYR A 47 -12.223 -5.222 0.110 1.00 0.00 O ATOM 0 H TYR A 47 -6.719 -1.091 1.293 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.409 -0.293 -0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.289 -0.183 1.946 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.159 0.511 0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.189 -2.646 2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.437 -0.903 -0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.365 -4.776 1.904 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.618 -3.030 -1.269 1.00 0.00 H new ATOM 0 HH TYR A 47 -12.384 -5.359 -0.847 1.00 0.00 H new ATOM 687 N VAL A 48 -8.031 2.174 -0.361 1.00 0.00 N ATOM 688 CA VAL A 48 -7.503 3.525 -0.217 1.00 0.00 C ATOM 689 C VAL A 48 -8.327 4.334 0.778 1.00 0.00 C ATOM 690 O VAL A 48 -9.535 4.496 0.613 1.00 0.00 O ATOM 691 CB VAL A 48 -7.479 4.265 -1.568 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.788 5.613 -1.427 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.795 3.415 -2.629 1.00 0.00 C ATOM 0 H VAL A 48 -8.788 2.087 -1.040 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.483 3.428 0.154 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.507 4.442 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.781 6.121 -2.391 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.325 6.223 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.763 5.463 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.787 3.953 -3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.770 3.205 -2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.337 2.477 -2.749 1.00 0.00 H new ATOM 703 N ASN A 49 -7.664 4.842 1.812 1.00 0.00 N ATOM 704 CA ASN A 49 -8.335 5.635 2.835 1.00 0.00 C ATOM 705 C ASN A 49 -8.290 7.121 2.489 1.00 0.00 C ATOM 706 O ASN A 49 -9.322 7.789 2.439 1.00 0.00 O ATOM 707 CB ASN A 49 -7.686 5.399 4.201 1.00 0.00 C ATOM 708 CG ASN A 49 -8.047 6.475 5.206 1.00 0.00 C ATOM 709 OD1 ASN A 49 -8.919 7.307 4.956 1.00 0.00 O ATOM 710 ND2 ASN A 49 -7.375 6.463 6.352 1.00 0.00 N ATOM 0 H ASN A 49 -6.663 4.718 1.963 1.00 0.00 H new ATOM 0 HA ASN A 49 -9.378 5.321 2.876 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.997 4.428 4.585 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.603 5.363 4.084 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.574 7.162 7.067 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.660 5.754 6.517 1.00 0.00 H new ATOM 717 N SER A 50 -7.085 7.630 2.250 1.00 0.00 N ATOM 718 CA SER A 50 -6.904 9.037 1.911 1.00 0.00 C ATOM 719 C SER A 50 -6.119 9.186 0.612 1.00 0.00 C ATOM 720 O SER A 50 -5.357 8.299 0.228 1.00 0.00 O ATOM 721 CB SER A 50 -6.181 9.767 3.045 1.00 0.00 C ATOM 722 OG SER A 50 -4.998 9.083 3.419 1.00 0.00 O ATOM 0 H SER A 50 -6.221 7.090 2.285 1.00 0.00 H new ATOM 0 HA SER A 50 -7.889 9.482 1.772 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.934 10.781 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.843 9.853 3.907 1.00 0.00 H new ATOM 0 HG SER A 50 -4.554 9.570 4.144 1.00 0.00 H new ATOM 728 N VAL A 51 -6.309 10.317 -0.061 1.00 0.00 N ATOM 729 CA VAL A 51 -5.619 10.584 -1.317 1.00 0.00 C ATOM 730 C VAL A 51 -5.285 12.065 -1.455 1.00 0.00 C ATOM 731 O VAL A 51 -6.007 12.926 -0.952 1.00 0.00 O ATOM 732 CB VAL A 51 -6.464 10.145 -2.527 1.00 0.00 C ATOM 733 CG1 VAL A 51 -5.748 10.477 -3.827 1.00 0.00 C ATOM 734 CG2 VAL A 51 -6.777 8.658 -2.446 1.00 0.00 C ATOM 0 H VAL A 51 -6.935 11.063 0.243 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.695 10.005 -1.300 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.406 10.693 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.360 10.159 -4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.579 11.552 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.790 9.958 -3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.375 8.364 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.847 8.090 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.334 8.453 -1.532 1.00 0.00 H new ATOM 744 N LYS A 52 -4.184 12.357 -2.141 1.00 0.00 N ATOM 745 CA LYS A 52 -3.754 13.734 -2.349 1.00 0.00 C ATOM 746 C LYS A 52 -4.887 14.578 -2.924 1.00 0.00 C ATOM 747 O LYS A 52 -5.574 14.158 -3.854 1.00 0.00 O ATOM 748 CB LYS A 52 -2.545 13.776 -3.287 1.00 0.00 C ATOM 749 CG LYS A 52 -1.212 13.679 -2.566 1.00 0.00 C ATOM 750 CD LYS A 52 -0.099 14.342 -3.360 1.00 0.00 C ATOM 751 CE LYS A 52 1.241 14.221 -2.650 1.00 0.00 C ATOM 752 NZ LYS A 52 2.138 15.368 -2.960 1.00 0.00 N ATOM 0 H LYS A 52 -3.573 11.657 -2.562 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.471 14.150 -1.382 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.622 12.957 -4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.572 14.703 -3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.292 14.150 -1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.965 12.631 -2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.032 13.884 -4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.337 15.395 -3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.078 14.168 -1.574 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.726 13.291 -2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.104 15.148 -2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.139 15.541 -3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.798 16.218 -2.466 1.00 0.00 H new ATOM 766 N GLU A 53 -5.074 15.769 -2.365 1.00 0.00 N ATOM 767 CA GLU A 53 -6.124 16.671 -2.824 1.00 0.00 C ATOM 768 C GLU A 53 -5.754 17.298 -4.165 1.00 0.00 C ATOM 769 O GLU A 53 -6.579 17.376 -5.076 1.00 0.00 O ATOM 770 CB GLU A 53 -6.374 17.768 -1.787 1.00 0.00 C ATOM 771 CG GLU A 53 -5.140 18.593 -1.464 1.00 0.00 C ATOM 772 CD GLU A 53 -5.186 19.191 -0.071 1.00 0.00 C ATOM 773 OE1 GLU A 53 -6.281 19.608 0.360 1.00 0.00 O ATOM 774 OE2 GLU A 53 -4.126 19.242 0.587 1.00 0.00 O ATOM 0 H GLU A 53 -4.513 16.132 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.037 16.089 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.158 18.431 -2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.746 17.311 -0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.254 17.966 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.041 19.394 -2.196 1.00 0.00 H new ATOM 781 N THR A 54 -4.507 17.745 -4.279 1.00 0.00 N ATOM 782 CA THR A 54 -4.028 18.367 -5.506 1.00 0.00 C ATOM 783 C THR A 54 -2.684 17.784 -5.930 1.00 0.00 C ATOM 784 O THR A 54 -1.760 18.518 -6.277 1.00 0.00 O ATOM 785 CB THR A 54 -3.884 19.893 -5.345 1.00 0.00 C ATOM 786 OG1 THR A 54 -3.078 20.190 -4.199 1.00 0.00 O ATOM 787 CG2 THR A 54 -5.247 20.552 -5.196 1.00 0.00 C ATOM 0 H THR A 54 -3.811 17.687 -3.536 1.00 0.00 H new ATOM 0 HA THR A 54 -4.771 18.159 -6.276 1.00 0.00 H new ATOM 0 HB THR A 54 -3.403 20.287 -6.240 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.990 21.161 -4.104 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.120 21.629 -5.084 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.849 20.348 -6.082 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.750 20.152 -4.316 1.00 0.00 H new ATOM 795 N GLY A 55 -2.584 16.459 -5.899 1.00 0.00 N ATOM 796 CA GLY A 55 -1.349 15.800 -6.283 1.00 0.00 C ATOM 797 C GLY A 55 -1.482 15.030 -7.582 1.00 0.00 C ATOM 798 O GLY A 55 -2.013 15.546 -8.567 1.00 0.00 O ATOM 0 H GLY A 55 -3.335 15.830 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.560 16.545 -6.385 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.043 15.118 -5.490 1.00 0.00 H new ATOM 802 N LEU A 56 -0.998 13.793 -7.587 1.00 0.00 N ATOM 803 CA LEU A 56 -1.064 12.950 -8.776 1.00 0.00 C ATOM 804 C LEU A 56 -2.192 11.929 -8.658 1.00 0.00 C ATOM 805 O LEU A 56 -3.081 11.872 -9.506 1.00 0.00 O ATOM 806 CB LEU A 56 0.269 12.232 -8.991 1.00 0.00 C ATOM 807 CG LEU A 56 1.521 13.107 -8.925 1.00 0.00 C ATOM 808 CD1 LEU A 56 2.773 12.261 -9.095 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.465 14.199 -9.984 1.00 0.00 C ATOM 0 H LEU A 56 -0.555 13.351 -6.781 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.267 13.590 -9.634 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.360 11.445 -8.242 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.243 11.743 -9.965 1.00 0.00 H new ATOM 0 HG LEU A 56 1.558 13.581 -7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.654 12.901 -9.045 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.820 11.517 -8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.744 11.758 -10.062 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.364 14.812 -9.922 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.403 13.744 -10.973 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.588 14.824 -9.816 1.00 0.00 H new ATOM 821 N ALA A 57 -2.148 11.127 -7.600 1.00 0.00 N ATOM 822 CA ALA A 57 -3.168 10.111 -7.369 1.00 0.00 C ATOM 823 C ALA A 57 -4.544 10.608 -7.798 1.00 0.00 C ATOM 824 O ALA A 57 -5.068 10.196 -8.833 1.00 0.00 O ATOM 825 CB ALA A 57 -3.185 9.705 -5.903 1.00 0.00 C ATOM 0 H ALA A 57 -1.417 11.161 -6.889 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.921 9.238 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.951 8.946 -5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.211 9.301 -5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.405 10.577 -5.287 1.00 0.00 H new ATOM 831 N SER A 58 -5.125 11.495 -6.996 1.00 0.00 N ATOM 832 CA SER A 58 -6.443 12.044 -7.291 1.00 0.00 C ATOM 833 C SER A 58 -6.572 12.381 -8.774 1.00 0.00 C ATOM 834 O SER A 58 -7.390 11.799 -9.486 1.00 0.00 O ATOM 835 CB SER A 58 -6.698 13.295 -6.448 1.00 0.00 C ATOM 836 OG SER A 58 -7.918 13.917 -6.814 1.00 0.00 O ATOM 0 H SER A 58 -4.703 11.849 -6.137 1.00 0.00 H new ATOM 0 HA SER A 58 -7.188 11.288 -7.042 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.726 13.026 -5.392 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.875 13.998 -6.577 1.00 0.00 H new ATOM 0 HG SER A 58 -8.059 14.713 -6.260 1.00 0.00 H new ATOM 842 N LYS A 59 -5.757 13.326 -9.232 1.00 0.00 N ATOM 843 CA LYS A 59 -5.777 13.742 -10.629 1.00 0.00 C ATOM 844 C LYS A 59 -6.044 12.553 -11.547 1.00 0.00 C ATOM 845 O LYS A 59 -7.005 12.553 -12.316 1.00 0.00 O ATOM 846 CB LYS A 59 -4.448 14.402 -11.005 1.00 0.00 C ATOM 847 CG LYS A 59 -4.361 15.865 -10.604 1.00 0.00 C ATOM 848 CD LYS A 59 -3.159 16.545 -11.236 1.00 0.00 C ATOM 849 CE LYS A 59 -3.367 16.774 -12.726 1.00 0.00 C ATOM 850 NZ LYS A 59 -2.352 17.706 -13.291 1.00 0.00 N ATOM 0 H LYS A 59 -5.074 13.818 -8.655 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.583 14.465 -10.756 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.633 13.855 -10.531 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.303 14.320 -12.082 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.273 16.381 -10.906 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.295 15.943 -9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.978 17.500 -10.742 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.270 15.933 -11.081 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.316 15.820 -13.251 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.365 17.178 -12.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.528 17.836 -14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.417 18.625 -12.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.401 17.309 -13.152 1.00 0.00 H new ATOM 864 N LYS A 60 -5.187 11.541 -11.460 1.00 0.00 N ATOM 865 CA LYS A 60 -5.331 10.344 -12.281 1.00 0.00 C ATOM 866 C LYS A 60 -6.745 9.781 -12.178 1.00 0.00 C ATOM 867 O LYS A 60 -7.489 9.764 -13.158 1.00 0.00 O ATOM 868 CB LYS A 60 -4.316 9.282 -11.853 1.00 0.00 C ATOM 869 CG LYS A 60 -2.871 9.732 -11.989 1.00 0.00 C ATOM 870 CD LYS A 60 -2.377 9.594 -13.419 1.00 0.00 C ATOM 871 CE LYS A 60 -0.870 9.778 -13.508 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.490 11.217 -13.575 1.00 0.00 N ATOM 0 H LYS A 60 -4.386 11.526 -10.829 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.143 10.620 -13.318 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.506 9.007 -10.816 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.466 8.385 -12.453 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.781 10.770 -11.670 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.240 9.139 -11.326 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.648 8.612 -13.806 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.873 10.332 -14.049 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.396 9.317 -12.641 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.492 9.261 -14.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.545 11.300 -13.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.921 11.651 -14.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.828 11.705 -12.721 1.00 0.00 H new ATOM 886 N GLY A 61 -7.110 9.322 -10.985 1.00 0.00 N ATOM 887 CA GLY A 61 -8.434 8.766 -10.777 1.00 0.00 C ATOM 888 C GLY A 61 -8.638 8.270 -9.359 1.00 0.00 C ATOM 889 O GLY A 61 -9.762 8.252 -8.856 1.00 0.00 O ATOM 0 H GLY A 61 -6.512 9.325 -10.159 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.183 9.524 -11.005 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.592 7.942 -11.473 1.00 0.00 H new ATOM 893 N LEU A 62 -7.550 7.866 -8.712 1.00 0.00 N ATOM 894 CA LEU A 62 -7.615 7.366 -7.343 1.00 0.00 C ATOM 895 C LEU A 62 -8.488 8.267 -6.475 1.00 0.00 C ATOM 896 O LEU A 62 -8.737 9.423 -6.816 1.00 0.00 O ATOM 897 CB LEU A 62 -6.210 7.271 -6.747 1.00 0.00 C ATOM 898 CG LEU A 62 -5.477 5.947 -6.964 1.00 0.00 C ATOM 899 CD1 LEU A 62 -3.971 6.162 -6.951 1.00 0.00 C ATOM 900 CD2 LEU A 62 -5.881 4.933 -5.904 1.00 0.00 C ATOM 0 H LEU A 62 -6.612 7.875 -9.113 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.061 6.372 -7.366 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.603 8.072 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.279 7.454 -5.675 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.759 5.554 -7.941 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.466 5.209 -7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.695 6.853 -7.747 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.671 6.578 -5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.349 3.997 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.629 5.319 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.955 4.756 -5.961 1.00 0.00 H new ATOM 912 N LYS A 63 -8.949 7.729 -5.351 1.00 0.00 N ATOM 913 CA LYS A 63 -9.792 8.484 -4.431 1.00 0.00 C ATOM 914 C LYS A 63 -10.012 7.709 -3.136 1.00 0.00 C ATOM 915 O LYS A 63 -10.052 6.479 -3.136 1.00 0.00 O ATOM 916 CB LYS A 63 -11.139 8.800 -5.084 1.00 0.00 C ATOM 917 CG LYS A 63 -11.881 9.949 -4.422 1.00 0.00 C ATOM 918 CD LYS A 63 -13.338 9.991 -4.850 1.00 0.00 C ATOM 919 CE LYS A 63 -13.514 10.753 -6.155 1.00 0.00 C ATOM 920 NZ LYS A 63 -13.238 12.207 -5.990 1.00 0.00 N ATOM 0 H LYS A 63 -8.753 6.773 -5.055 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.283 9.418 -4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.976 9.041 -6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.766 7.909 -5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.822 9.846 -3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.398 10.892 -4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.713 8.974 -4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.934 10.462 -4.069 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.845 10.340 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.531 10.616 -6.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.708 12.738 -6.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.601 12.527 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.212 12.373 -6.035 1.00 0.00 H new ATOM 934 N ALA A 64 -10.156 8.438 -2.033 1.00 0.00 N ATOM 935 CA ALA A 64 -10.376 7.819 -0.732 1.00 0.00 C ATOM 936 C ALA A 64 -11.577 6.879 -0.767 1.00 0.00 C ATOM 937 O ALA A 64 -12.724 7.322 -0.774 1.00 0.00 O ATOM 938 CB ALA A 64 -10.571 8.887 0.334 1.00 0.00 C ATOM 0 H ALA A 64 -10.124 9.457 -2.015 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.493 7.230 -0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.734 8.411 1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.683 9.517 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.436 9.500 0.081 1.00 0.00 H new ATOM 944 N GLY A 65 -11.304 5.578 -0.790 1.00 0.00 N ATOM 945 CA GLY A 65 -12.372 4.596 -0.825 1.00 0.00 C ATOM 946 C GLY A 65 -12.334 3.743 -2.077 1.00 0.00 C ATOM 947 O GLY A 65 -13.367 3.495 -2.699 1.00 0.00 O ATOM 0 H GLY A 65 -10.362 5.187 -0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.299 3.953 0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.333 5.107 -0.766 1.00 0.00 H new ATOM 951 N ASP A 66 -11.140 3.294 -2.449 1.00 0.00 N ATOM 952 CA ASP A 66 -10.972 2.463 -3.636 1.00 0.00 C ATOM 953 C ASP A 66 -10.625 1.028 -3.250 1.00 0.00 C ATOM 954 O ASP A 66 -10.401 0.728 -2.078 1.00 0.00 O ATOM 955 CB ASP A 66 -9.879 3.040 -4.537 1.00 0.00 C ATOM 956 CG ASP A 66 -10.306 4.330 -5.210 1.00 0.00 C ATOM 957 OD1 ASP A 66 -11.217 5.002 -4.682 1.00 0.00 O ATOM 958 OD2 ASP A 66 -9.728 4.668 -6.264 1.00 0.00 O ATOM 0 H ASP A 66 -10.275 3.491 -1.946 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.916 2.456 -4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.982 3.222 -3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.615 2.306 -5.299 1.00 0.00 H new ATOM 963 N GLU A 67 -10.583 0.147 -4.245 1.00 0.00 N ATOM 964 CA GLU A 67 -10.265 -1.256 -4.008 1.00 0.00 C ATOM 965 C GLU A 67 -9.045 -1.682 -4.820 1.00 0.00 C ATOM 966 O GLU A 67 -9.089 -1.724 -6.050 1.00 0.00 O ATOM 967 CB GLU A 67 -11.462 -2.140 -4.365 1.00 0.00 C ATOM 968 CG GLU A 67 -11.148 -3.627 -4.347 1.00 0.00 C ATOM 969 CD GLU A 67 -11.246 -4.227 -2.958 1.00 0.00 C ATOM 970 OE1 GLU A 67 -10.265 -4.115 -2.193 1.00 0.00 O ATOM 971 OE2 GLU A 67 -12.303 -4.808 -2.635 1.00 0.00 O ATOM 0 H GLU A 67 -10.765 0.380 -5.221 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.036 -1.376 -2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.272 -1.940 -3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.823 -1.865 -5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.836 -4.148 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.143 -3.787 -4.738 1.00 0.00 H new ATOM 978 N ILE A 68 -7.958 -1.996 -4.123 1.00 0.00 N ATOM 979 CA ILE A 68 -6.727 -2.419 -4.778 1.00 0.00 C ATOM 980 C ILE A 68 -6.736 -3.919 -5.051 1.00 0.00 C ATOM 981 O ILE A 68 -7.224 -4.706 -4.238 1.00 0.00 O ATOM 982 CB ILE A 68 -5.490 -2.070 -3.929 1.00 0.00 C ATOM 983 CG1 ILE A 68 -5.546 -0.608 -3.482 1.00 0.00 C ATOM 984 CG2 ILE A 68 -4.215 -2.341 -4.715 1.00 0.00 C ATOM 985 CD1 ILE A 68 -5.356 0.377 -4.613 1.00 0.00 C ATOM 0 H ILE A 68 -7.905 -1.965 -3.105 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.672 -1.881 -5.724 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.488 -2.701 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.507 -0.419 -3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.777 -0.437 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.349 -2.090 -4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.173 -3.396 -4.988 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.209 -1.732 -5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.408 1.393 -4.223 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.383 0.215 -5.077 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.140 0.233 -5.356 1.00 0.00 H new ATOM 997 N LEU A 69 -6.193 -4.309 -6.199 1.00 0.00 N ATOM 998 CA LEU A 69 -6.137 -5.716 -6.579 1.00 0.00 C ATOM 999 C LEU A 69 -4.694 -6.170 -6.774 1.00 0.00 C ATOM 1000 O LEU A 69 -4.335 -7.293 -6.422 1.00 0.00 O ATOM 1001 CB LEU A 69 -6.935 -5.950 -7.863 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.389 -5.478 -7.845 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -8.855 -5.130 -9.250 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.288 -6.541 -7.232 1.00 0.00 C ATOM 0 H LEU A 69 -5.785 -3.671 -6.882 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.577 -6.303 -5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.421 -5.448 -8.683 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.923 -7.017 -8.085 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.451 -4.580 -7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.892 -4.796 -9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.230 -4.333 -9.654 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.777 -6.011 -9.888 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.319 -6.187 -7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.221 -7.457 -7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.969 -6.742 -6.209 1.00 0.00 H new ATOM 1016 N GLU A 70 -3.872 -5.289 -7.335 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.468 -5.600 -7.574 1.00 0.00 C ATOM 1018 C GLU A 70 -1.619 -4.332 -7.554 1.00 0.00 C ATOM 1019 O GLU A 70 -2.112 -3.238 -7.831 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.303 -6.316 -8.916 1.00 0.00 C ATOM 1021 CG GLU A 70 -2.472 -7.823 -8.826 1.00 0.00 C ATOM 1022 CD GLU A 70 -3.928 -8.248 -8.830 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -4.748 -7.547 -9.459 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -4.247 -9.280 -8.204 1.00 0.00 O ATOM 0 H GLU A 70 -4.154 -4.355 -7.632 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.127 -6.258 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.032 -5.919 -9.622 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.315 -6.093 -9.318 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.958 -8.293 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.994 -8.185 -7.915 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.341 -4.488 -7.225 1.00 0.00 N ATOM 1032 CA ILE A 71 0.577 -3.357 -7.169 1.00 0.00 C ATOM 1033 C ILE A 71 1.872 -3.663 -7.912 1.00 0.00 C ATOM 1034 O ILE A 71 2.741 -4.367 -7.401 1.00 0.00 O ATOM 1035 CB ILE A 71 0.910 -2.973 -5.715 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.352 -2.513 -4.983 1.00 0.00 C ATOM 1037 CG2 ILE A 71 1.974 -1.886 -5.685 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.174 -2.396 -3.486 1.00 0.00 C ATOM 0 H ILE A 71 0.082 -5.387 -6.993 1.00 0.00 H new ATOM 0 HA ILE A 71 0.074 -2.519 -7.651 1.00 0.00 H new ATOM 0 HB ILE A 71 1.302 -3.852 -5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.661 -1.546 -5.381 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.159 -3.215 -5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.199 -1.625 -4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.879 -2.249 -6.173 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.608 -1.004 -6.210 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.109 -2.065 -3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.105 -3.367 -3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.611 -1.671 -3.268 1.00 0.00 H new ATOM 1050 N ASN A 72 1.995 -3.126 -9.122 1.00 0.00 N ATOM 1051 CA ASN A 72 3.186 -3.341 -9.936 1.00 0.00 C ATOM 1052 C ASN A 72 3.347 -4.817 -10.285 1.00 0.00 C ATOM 1053 O ASN A 72 4.425 -5.389 -10.126 1.00 0.00 O ATOM 1054 CB ASN A 72 4.430 -2.840 -9.199 1.00 0.00 C ATOM 1055 CG ASN A 72 4.336 -1.370 -8.840 1.00 0.00 C ATOM 1056 OD1 ASN A 72 3.253 -0.854 -8.566 1.00 0.00 O ATOM 1057 ND2 ASN A 72 5.476 -0.688 -8.839 1.00 0.00 N ATOM 0 H ASN A 72 1.285 -2.539 -9.560 1.00 0.00 H new ATOM 0 HA ASN A 72 3.070 -2.778 -10.862 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.571 -3.425 -8.290 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.309 -3.003 -9.823 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.476 0.305 -8.605 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.351 -1.157 -9.073 1.00 0.00 H new ATOM 1064 N ASN A 73 2.268 -5.428 -10.763 1.00 0.00 N ATOM 1065 CA ASN A 73 2.289 -6.838 -11.135 1.00 0.00 C ATOM 1066 C ASN A 73 2.555 -7.718 -9.917 1.00 0.00 C ATOM 1067 O ASN A 73 3.168 -8.780 -10.028 1.00 0.00 O ATOM 1068 CB ASN A 73 3.357 -7.089 -12.202 1.00 0.00 C ATOM 1069 CG ASN A 73 3.166 -6.215 -13.427 1.00 0.00 C ATOM 1070 OD1 ASN A 73 2.039 -5.943 -13.839 1.00 0.00 O ATOM 1071 ND2 ASN A 73 4.271 -5.772 -14.015 1.00 0.00 N ATOM 0 H ASN A 73 1.368 -4.969 -10.902 1.00 0.00 H new ATOM 0 HA ASN A 73 1.311 -7.096 -11.541 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.343 -6.903 -11.776 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.331 -8.137 -12.499 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.206 -5.181 -14.843 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.185 -6.023 -13.638 1.00 0.00 H new ATOM 1078 N ARG A 74 2.089 -7.269 -8.756 1.00 0.00 N ATOM 1079 CA ARG A 74 2.277 -8.014 -7.518 1.00 0.00 C ATOM 1080 C ARG A 74 0.963 -8.134 -6.751 1.00 0.00 C ATOM 1081 O ARG A 74 0.236 -7.154 -6.589 1.00 0.00 O ATOM 1082 CB ARG A 74 3.331 -7.334 -6.642 1.00 0.00 C ATOM 1083 CG ARG A 74 4.705 -7.262 -7.288 1.00 0.00 C ATOM 1084 CD ARG A 74 5.467 -8.568 -7.123 1.00 0.00 C ATOM 1085 NE ARG A 74 5.177 -9.510 -8.201 1.00 0.00 N ATOM 1086 CZ ARG A 74 5.743 -10.708 -8.301 1.00 0.00 C ATOM 1087 NH1 ARG A 74 6.624 -11.107 -7.394 1.00 0.00 N ATOM 1088 NH2 ARG A 74 5.429 -11.509 -9.311 1.00 0.00 N ATOM 0 H ARG A 74 1.578 -6.393 -8.647 1.00 0.00 H new ATOM 0 HA ARG A 74 2.621 -9.016 -7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.997 -6.324 -6.404 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.410 -7.874 -5.698 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.598 -7.033 -8.348 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.276 -6.448 -6.842 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.537 -8.363 -7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.208 -9.021 -6.166 1.00 0.00 H new ATOM 0 HE ARG A 74 4.504 -9.233 -8.916 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.869 -10.494 -6.617 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.057 -12.027 -7.474 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.753 -11.205 -10.012 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.864 -12.428 -9.387 1.00 0.00 H new ATOM 1102 N ALA A 75 0.666 -9.341 -6.281 1.00 0.00 N ATOM 1103 CA ALA A 75 -0.559 -9.589 -5.531 1.00 0.00 C ATOM 1104 C ALA A 75 -0.456 -9.034 -4.114 1.00 0.00 C ATOM 1105 O ALA A 75 0.385 -9.469 -3.327 1.00 0.00 O ATOM 1106 CB ALA A 75 -0.865 -11.079 -5.496 1.00 0.00 C ATOM 0 H ALA A 75 1.257 -10.163 -6.406 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.376 -9.074 -6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.782 -11.249 -4.933 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.990 -11.449 -6.514 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.042 -11.608 -5.017 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.315 -8.072 -3.796 1.00 0.00 N ATOM 1113 CA ALA A 76 -1.321 -7.460 -2.473 1.00 0.00 C ATOM 1114 C ALA A 76 -1.067 -8.498 -1.386 1.00 0.00 C ATOM 1115 O ALA A 76 -0.105 -8.393 -0.625 1.00 0.00 O ATOM 1116 CB ALA A 76 -2.643 -6.747 -2.227 1.00 0.00 C ATOM 0 H ALA A 76 -2.016 -7.699 -4.436 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.514 -6.729 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.633 -6.295 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.783 -5.970 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.461 -7.465 -2.290 1.00 0.00 H new ATOM 1122 N ASP A 77 -1.937 -9.501 -1.317 1.00 0.00 N ATOM 1123 CA ASP A 77 -1.806 -10.559 -0.323 1.00 0.00 C ATOM 1124 C ASP A 77 -0.388 -11.120 -0.309 1.00 0.00 C ATOM 1125 O ASP A 77 0.148 -11.454 0.748 1.00 0.00 O ATOM 1126 CB ASP A 77 -2.808 -11.680 -0.606 1.00 0.00 C ATOM 1127 CG ASP A 77 -2.551 -12.365 -1.933 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -1.591 -13.160 -2.013 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -3.308 -12.106 -2.892 1.00 0.00 O ATOM 0 H ASP A 77 -2.740 -9.603 -1.938 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.017 -10.131 0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.760 -12.417 0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.818 -11.270 -0.602 1.00 0.00 H new ATOM 1134 N ALA A 78 0.215 -11.221 -1.489 1.00 0.00 N ATOM 1135 CA ALA A 78 1.571 -11.740 -1.612 1.00 0.00 C ATOM 1136 C ALA A 78 2.592 -10.740 -1.082 1.00 0.00 C ATOM 1137 O ALA A 78 3.676 -11.120 -0.637 1.00 0.00 O ATOM 1138 CB ALA A 78 1.873 -12.088 -3.062 1.00 0.00 C ATOM 0 H ALA A 78 -0.215 -10.950 -2.374 1.00 0.00 H new ATOM 0 HA ALA A 78 1.643 -12.646 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.889 -12.475 -3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.169 -12.845 -3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.777 -11.194 -3.678 1.00 0.00 H new ATOM 1144 N LEU A 79 2.241 -9.460 -1.134 1.00 0.00 N ATOM 1145 CA LEU A 79 3.128 -8.403 -0.660 1.00 0.00 C ATOM 1146 C LEU A 79 2.962 -8.186 0.841 1.00 0.00 C ATOM 1147 O LEU A 79 1.874 -8.362 1.387 1.00 0.00 O ATOM 1148 CB LEU A 79 2.847 -7.099 -1.409 1.00 0.00 C ATOM 1149 CG LEU A 79 2.893 -7.180 -2.936 1.00 0.00 C ATOM 1150 CD1 LEU A 79 2.218 -5.965 -3.554 1.00 0.00 C ATOM 1151 CD2 LEU A 79 4.330 -7.299 -3.421 1.00 0.00 C ATOM 0 H LEU A 79 1.348 -9.129 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 79 4.155 -8.711 -0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.862 -6.738 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.571 -6.352 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 79 2.350 -8.071 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.260 -6.039 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.177 -5.924 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.733 -5.060 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.343 -7.355 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.897 -6.427 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.781 -8.200 -3.005 1.00 0.00 H new ATOM 1163 N ASN A 80 4.049 -7.800 1.501 1.00 0.00 N ATOM 1164 CA ASN A 80 4.024 -7.557 2.939 1.00 0.00 C ATOM 1165 C ASN A 80 4.304 -6.089 3.248 1.00 0.00 C ATOM 1166 O ASN A 80 4.829 -5.357 2.409 1.00 0.00 O ATOM 1167 CB ASN A 80 5.051 -8.443 3.646 1.00 0.00 C ATOM 1168 CG ASN A 80 5.214 -9.791 2.969 1.00 0.00 C ATOM 1169 OD1 ASN A 80 4.642 -10.790 3.405 1.00 0.00 O ATOM 1170 ND2 ASN A 80 5.999 -9.824 1.898 1.00 0.00 N ATOM 0 H ASN A 80 4.958 -7.649 1.063 1.00 0.00 H new ATOM 0 HA ASN A 80 3.028 -7.804 3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.014 -7.932 3.669 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.746 -8.594 4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.148 -10.703 1.402 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.453 -8.971 1.572 1.00 0.00 H new ATOM 1177 N SER A 81 3.950 -5.666 4.457 1.00 0.00 N ATOM 1178 CA SER A 81 4.161 -4.285 4.876 1.00 0.00 C ATOM 1179 C SER A 81 5.516 -3.773 4.398 1.00 0.00 C ATOM 1180 O SER A 81 5.645 -2.624 3.978 1.00 0.00 O ATOM 1181 CB SER A 81 4.069 -4.172 6.399 1.00 0.00 C ATOM 1182 OG SER A 81 5.010 -5.022 7.031 1.00 0.00 O ATOM 0 H SER A 81 3.516 -6.260 5.164 1.00 0.00 H new ATOM 0 HA SER A 81 3.381 -3.672 4.425 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.246 -3.140 6.702 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.062 -4.432 6.726 1.00 0.00 H new ATOM 0 HG SER A 81 4.932 -4.930 8.004 1.00 0.00 H new ATOM 1188 N SER A 82 6.525 -4.636 4.466 1.00 0.00 N ATOM 1189 CA SER A 82 7.873 -4.271 4.044 1.00 0.00 C ATOM 1190 C SER A 82 7.887 -3.846 2.579 1.00 0.00 C ATOM 1191 O SER A 82 8.544 -2.873 2.210 1.00 0.00 O ATOM 1192 CB SER A 82 8.831 -5.445 4.255 1.00 0.00 C ATOM 1193 OG SER A 82 10.086 -5.194 3.647 1.00 0.00 O ATOM 0 H SER A 82 6.435 -5.592 4.809 1.00 0.00 H new ATOM 0 HA SER A 82 8.202 -3.428 4.652 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.969 -5.619 5.322 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.396 -6.353 3.837 1.00 0.00 H new ATOM 0 HG SER A 82 10.681 -5.958 3.797 1.00 0.00 H new ATOM 1199 N MET A 83 7.156 -4.582 1.748 1.00 0.00 N ATOM 1200 CA MET A 83 7.083 -4.281 0.323 1.00 0.00 C ATOM 1201 C MET A 83 6.427 -2.924 0.088 1.00 0.00 C ATOM 1202 O MET A 83 7.040 -2.016 -0.475 1.00 0.00 O ATOM 1203 CB MET A 83 6.302 -5.372 -0.411 1.00 0.00 C ATOM 1204 CG MET A 83 6.756 -6.781 -0.066 1.00 0.00 C ATOM 1205 SD MET A 83 8.481 -7.080 -0.497 1.00 0.00 S ATOM 1206 CE MET A 83 8.616 -8.833 -0.160 1.00 0.00 C ATOM 0 H MET A 83 6.606 -5.391 2.037 1.00 0.00 H new ATOM 0 HA MET A 83 8.100 -4.247 -0.069 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.243 -5.272 -0.173 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.403 -5.219 -1.486 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.617 -6.952 1.002 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.125 -7.500 -0.589 1.00 0.00 H new ATOM 0 HE1 MET A 83 9.581 -9.198 -0.511 1.00 0.00 H new ATOM 0 HE2 MET A 83 8.531 -9.005 0.913 1.00 0.00 H new ATOM 0 HE3 MET A 83 7.818 -9.365 -0.677 1.00 0.00 H new ATOM 1216 N LEU A 84 5.178 -2.792 0.521 1.00 0.00 N ATOM 1217 CA LEU A 84 4.438 -1.546 0.356 1.00 0.00 C ATOM 1218 C LEU A 84 5.344 -0.341 0.591 1.00 0.00 C ATOM 1219 O LEU A 84 5.322 0.625 -0.173 1.00 0.00 O ATOM 1220 CB LEU A 84 3.252 -1.502 1.321 1.00 0.00 C ATOM 1221 CG LEU A 84 1.983 -2.216 0.857 1.00 0.00 C ATOM 1222 CD1 LEU A 84 1.059 -2.484 2.035 1.00 0.00 C ATOM 1223 CD2 LEU A 84 1.268 -1.396 -0.208 1.00 0.00 C ATOM 0 H LEU A 84 4.656 -3.533 0.989 1.00 0.00 H new ATOM 0 HA LEU A 84 4.067 -1.505 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.565 -1.939 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.007 -0.458 1.516 1.00 0.00 H new ATOM 0 HG LEU A 84 2.268 -3.173 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.161 -2.993 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.571 -3.112 2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.782 -1.539 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.367 -1.920 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.996 -0.424 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.928 -1.257 -1.064 1.00 0.00 H new ATOM 1235 N LYS A 85 6.141 -0.404 1.652 1.00 0.00 N ATOM 1236 CA LYS A 85 7.058 0.680 1.986 1.00 0.00 C ATOM 1237 C LYS A 85 8.060 0.912 0.860 1.00 0.00 C ATOM 1238 O LYS A 85 8.244 2.041 0.403 1.00 0.00 O ATOM 1239 CB LYS A 85 7.800 0.364 3.287 1.00 0.00 C ATOM 1240 CG LYS A 85 8.351 1.594 3.987 1.00 0.00 C ATOM 1241 CD LYS A 85 9.107 1.224 5.252 1.00 0.00 C ATOM 1242 CE LYS A 85 10.469 0.626 4.934 1.00 0.00 C ATOM 1243 NZ LYS A 85 11.501 1.679 4.723 1.00 0.00 N ATOM 0 H LYS A 85 6.171 -1.195 2.296 1.00 0.00 H new ATOM 0 HA LYS A 85 6.473 1.590 2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.123 -0.156 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.621 -0.319 3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.014 2.132 3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.532 2.270 4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.234 2.110 5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.521 0.510 5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.778 -0.027 5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.394 0.007 4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.415 1.231 4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.219 2.287 3.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.591 2.254 5.585 1.00 0.00 H new ATOM 1257 N ASP A 86 8.703 -0.162 0.416 1.00 0.00 N ATOM 1258 CA ASP A 86 9.685 -0.075 -0.659 1.00 0.00 C ATOM 1259 C ASP A 86 9.072 0.559 -1.904 1.00 0.00 C ATOM 1260 O ASP A 86 9.642 1.482 -2.488 1.00 0.00 O ATOM 1261 CB ASP A 86 10.229 -1.464 -0.995 1.00 0.00 C ATOM 1262 CG ASP A 86 11.612 -1.410 -1.614 1.00 0.00 C ATOM 1263 OD1 ASP A 86 12.352 -0.444 -1.331 1.00 0.00 O ATOM 1264 OD2 ASP A 86 11.955 -2.333 -2.382 1.00 0.00 O ATOM 0 H ASP A 86 8.562 -1.103 0.784 1.00 0.00 H new ATOM 0 HA ASP A 86 10.506 0.556 -0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.264 -2.067 -0.087 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.546 -1.962 -1.683 1.00 0.00 H new ATOM 1269 N PHE A 87 7.909 0.058 -2.306 1.00 0.00 N ATOM 1270 CA PHE A 87 7.220 0.574 -3.483 1.00 0.00 C ATOM 1271 C PHE A 87 6.990 2.078 -3.363 1.00 0.00 C ATOM 1272 O PHE A 87 7.401 2.851 -4.230 1.00 0.00 O ATOM 1273 CB PHE A 87 5.883 -0.144 -3.673 1.00 0.00 C ATOM 1274 CG PHE A 87 5.981 -1.381 -4.520 1.00 0.00 C ATOM 1275 CD1 PHE A 87 6.661 -1.357 -5.727 1.00 0.00 C ATOM 1276 CD2 PHE A 87 5.393 -2.566 -4.110 1.00 0.00 C ATOM 1277 CE1 PHE A 87 6.754 -2.494 -6.509 1.00 0.00 C ATOM 1278 CE2 PHE A 87 5.483 -3.706 -4.887 1.00 0.00 C ATOM 1279 CZ PHE A 87 6.163 -3.669 -6.088 1.00 0.00 C ATOM 0 H PHE A 87 7.424 -0.705 -1.834 1.00 0.00 H new ATOM 0 HA PHE A 87 7.851 0.389 -4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.482 -0.413 -2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.172 0.544 -4.130 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.124 -0.440 -6.061 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.858 -2.600 -3.172 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.288 -2.463 -7.447 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.022 -4.624 -4.555 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.233 -4.558 -6.697 1.00 0.00 H new ATOM 1289 N LEU A 88 6.332 2.485 -2.284 1.00 0.00 N ATOM 1290 CA LEU A 88 6.046 3.896 -2.049 1.00 0.00 C ATOM 1291 C LEU A 88 7.329 4.720 -2.056 1.00 0.00 C ATOM 1292 O LEU A 88 7.295 5.939 -2.227 1.00 0.00 O ATOM 1293 CB LEU A 88 5.319 4.074 -0.715 1.00 0.00 C ATOM 1294 CG LEU A 88 3.939 3.424 -0.610 1.00 0.00 C ATOM 1295 CD1 LEU A 88 3.432 3.476 0.822 1.00 0.00 C ATOM 1296 CD2 LEU A 88 2.956 4.104 -1.552 1.00 0.00 C ATOM 0 H LEU A 88 5.986 1.858 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 88 5.404 4.251 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.950 3.670 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.211 5.141 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 88 4.028 2.378 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.449 3.009 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.124 2.942 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.359 4.515 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.979 3.628 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.871 5.159 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.313 4.013 -2.578 1.00 0.00 H new ATOM 1308 N SER A 89 8.460 4.046 -1.872 1.00 0.00 N ATOM 1309 CA SER A 89 9.755 4.716 -1.856 1.00 0.00 C ATOM 1310 C SER A 89 10.255 4.967 -3.275 1.00 0.00 C ATOM 1311 O SER A 89 11.396 5.383 -3.478 1.00 0.00 O ATOM 1312 CB SER A 89 10.776 3.879 -1.084 1.00 0.00 C ATOM 1313 OG SER A 89 11.941 4.634 -0.794 1.00 0.00 O ATOM 0 H SER A 89 8.506 3.037 -1.732 1.00 0.00 H new ATOM 0 HA SER A 89 9.633 5.678 -1.358 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.330 3.521 -0.156 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.045 2.999 -1.668 1.00 0.00 H new ATOM 0 HG SER A 89 12.183 5.174 -1.575 1.00 0.00 H new ATOM 1319 N GLN A 90 9.392 4.712 -4.253 1.00 0.00 N ATOM 1320 CA GLN A 90 9.746 4.909 -5.654 1.00 0.00 C ATOM 1321 C GLN A 90 8.866 5.978 -6.293 1.00 0.00 C ATOM 1322 O GLN A 90 7.694 6.138 -5.950 1.00 0.00 O ATOM 1323 CB GLN A 90 9.614 3.595 -6.425 1.00 0.00 C ATOM 1324 CG GLN A 90 10.416 2.453 -5.823 1.00 0.00 C ATOM 1325 CD GLN A 90 10.267 1.160 -6.602 1.00 0.00 C ATOM 1326 OE1 GLN A 90 9.961 1.173 -7.795 1.00 0.00 O ATOM 1327 NE2 GLN A 90 10.482 0.036 -5.930 1.00 0.00 N ATOM 0 H GLN A 90 8.443 4.369 -4.101 1.00 0.00 H new ATOM 0 HA GLN A 90 10.782 5.244 -5.697 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.563 3.309 -6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.938 3.753 -7.454 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.469 2.732 -5.788 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.095 2.292 -4.794 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.734 0.073 -4.942 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.396 -0.864 -6.401 1.00 0.00 H new ATOM 1336 N PRO A 91 9.441 6.729 -7.243 1.00 0.00 N ATOM 1337 CA PRO A 91 8.726 7.796 -7.950 1.00 0.00 C ATOM 1338 C PRO A 91 7.656 7.253 -8.890 1.00 0.00 C ATOM 1339 O PRO A 91 6.711 7.958 -9.244 1.00 0.00 O ATOM 1340 CB PRO A 91 9.831 8.497 -8.745 1.00 0.00 C ATOM 1341 CG PRO A 91 10.880 7.456 -8.933 1.00 0.00 C ATOM 1342 CD PRO A 91 10.834 6.595 -7.702 1.00 0.00 C ATOM 0 HA PRO A 91 8.193 8.454 -7.263 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.459 8.862 -9.702 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.221 9.359 -8.205 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.688 6.866 -9.829 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.863 7.910 -9.055 1.00 0.00 H new ATOM 0 HD2 PRO A 91 11.085 5.558 -7.927 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.541 6.937 -6.946 1.00 0.00 H new ATOM 1350 N SER A 92 7.809 5.995 -9.290 1.00 0.00 N ATOM 1351 CA SER A 92 6.857 5.358 -10.192 1.00 0.00 C ATOM 1352 C SER A 92 6.186 4.164 -9.519 1.00 0.00 C ATOM 1353 O SER A 92 6.856 3.296 -8.957 1.00 0.00 O ATOM 1354 CB SER A 92 7.559 4.907 -11.474 1.00 0.00 C ATOM 1355 OG SER A 92 8.187 3.649 -11.296 1.00 0.00 O ATOM 0 H SER A 92 8.584 5.396 -9.003 1.00 0.00 H new ATOM 0 HA SER A 92 6.089 6.089 -10.445 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.835 4.844 -12.286 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.301 5.650 -11.766 1.00 0.00 H new ATOM 0 HG SER A 92 8.627 3.382 -12.130 1.00 0.00 H new ATOM 1361 N LEU A 93 4.860 4.126 -9.580 1.00 0.00 N ATOM 1362 CA LEU A 93 4.096 3.039 -8.977 1.00 0.00 C ATOM 1363 C LEU A 93 2.881 2.688 -9.830 1.00 0.00 C ATOM 1364 O LEU A 93 2.384 3.517 -10.591 1.00 0.00 O ATOM 1365 CB LEU A 93 3.649 3.425 -7.566 1.00 0.00 C ATOM 1366 CG LEU A 93 4.617 3.076 -6.436 1.00 0.00 C ATOM 1367 CD1 LEU A 93 5.585 4.223 -6.189 1.00 0.00 C ATOM 1368 CD2 LEU A 93 3.853 2.738 -5.164 1.00 0.00 C ATOM 0 H LEU A 93 4.291 4.836 -10.041 1.00 0.00 H new ATOM 0 HA LEU A 93 4.742 2.163 -8.920 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.470 4.500 -7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.695 2.939 -7.363 1.00 0.00 H new ATOM 0 HG LEU A 93 5.192 2.200 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.266 3.956 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.157 4.418 -7.096 1.00 0.00 H new ATOM 0 HD13 LEU A 93 5.027 5.117 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.558 2.492 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.252 3.595 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.201 1.884 -5.347 1.00 0.00 H new ATOM 1380 N GLY A 94 2.407 1.454 -9.696 1.00 0.00 N ATOM 1381 CA GLY A 94 1.253 1.016 -10.459 1.00 0.00 C ATOM 1382 C GLY A 94 0.172 0.414 -9.582 1.00 0.00 C ATOM 1383 O GLY A 94 0.418 -0.548 -8.853 1.00 0.00 O ATOM 0 H GLY A 94 2.801 0.749 -9.073 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.841 1.863 -11.008 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.568 0.280 -11.199 1.00 0.00 H new ATOM 1387 N LEU A 95 -1.027 0.982 -9.650 1.00 0.00 N ATOM 1388 CA LEU A 95 -2.149 0.497 -8.855 1.00 0.00 C ATOM 1389 C LEU A 95 -3.283 0.011 -9.752 1.00 0.00 C ATOM 1390 O LEU A 95 -3.786 0.757 -10.594 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.657 1.602 -7.926 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.614 2.236 -7.005 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -2.182 3.472 -6.326 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -1.133 1.229 -5.970 1.00 0.00 C ATOM 0 H LEU A 95 -1.247 1.779 -10.248 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.800 -0.343 -8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.099 2.389 -8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.456 1.191 -7.309 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.760 2.540 -7.610 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.425 3.909 -5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.475 4.200 -7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.054 3.194 -5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.391 1.698 -5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.978 0.893 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.685 0.374 -6.475 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.683 -1.242 -9.566 1.00 0.00 N ATOM 1407 CA LEU A 96 -4.760 -1.827 -10.357 1.00 0.00 C ATOM 1408 C LEU A 96 -6.047 -1.916 -9.543 1.00 0.00 C ATOM 1409 O LEU A 96 -6.216 -2.823 -8.727 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.358 -3.218 -10.851 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.365 -3.924 -11.760 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -5.381 -3.283 -13.138 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -5.041 -5.408 -11.863 1.00 0.00 C ATOM 0 H LEU A 96 -3.278 -1.873 -8.874 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.940 -1.181 -11.216 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.413 -3.132 -11.387 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.176 -3.851 -9.983 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.358 -3.819 -11.322 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.103 -3.799 -13.771 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.662 -2.234 -13.048 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.390 -3.356 -13.585 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.768 -5.895 -12.514 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.041 -5.534 -12.278 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.082 -5.859 -10.872 1.00 0.00 H new ATOM 1425 N VAL A 97 -6.952 -0.971 -9.773 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.226 -0.944 -9.064 1.00 0.00 C ATOM 1427 C VAL A 97 -9.392 -1.164 -10.021 1.00 0.00 C ATOM 1428 O VAL A 97 -9.255 -0.996 -11.232 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.429 0.391 -8.324 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.330 0.603 -7.293 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.473 1.546 -9.313 1.00 0.00 C ATOM 0 H VAL A 97 -6.827 -0.214 -10.445 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.199 -1.754 -8.335 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.384 0.354 -7.800 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.490 1.551 -6.780 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.350 -0.210 -6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.361 0.620 -7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.617 2.482 -8.773 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.535 1.587 -9.867 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.299 1.398 -10.009 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.541 -1.541 -9.468 1.00 0.00 N ATOM 1442 CA ARG A 98 -11.732 -1.786 -10.273 1.00 0.00 C ATOM 1443 C ARG A 98 -12.749 -0.663 -10.092 1.00 0.00 C ATOM 1444 O ARG A 98 -12.952 -0.165 -8.984 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.364 -3.126 -9.893 1.00 0.00 C ATOM 1446 CG ARG A 98 -13.102 -3.798 -11.040 1.00 0.00 C ATOM 1447 CD ARG A 98 -13.365 -5.267 -10.748 1.00 0.00 C ATOM 1448 NE ARG A 98 -12.144 -6.065 -10.812 1.00 0.00 N ATOM 1449 CZ ARG A 98 -12.132 -7.372 -11.052 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -13.270 -8.023 -11.250 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -10.980 -8.029 -11.094 1.00 0.00 N ATOM 0 H ARG A 98 -10.672 -1.683 -8.467 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.432 -1.818 -11.320 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.584 -3.796 -9.531 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.058 -2.970 -9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -14.048 -3.286 -11.215 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.516 -3.707 -11.954 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.811 -5.366 -9.758 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.089 -5.655 -11.464 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.252 -5.594 -10.664 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.157 -7.521 -11.218 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.258 -9.026 -11.434 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.103 -7.531 -10.942 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.971 -9.032 -11.278 1.00 0.00 H new ATOM 1465 N THR A 99 -13.387 -0.267 -11.190 1.00 0.00 N ATOM 1466 CA THR A 99 -14.382 0.797 -11.154 1.00 0.00 C ATOM 1467 C THR A 99 -15.443 0.595 -12.230 1.00 0.00 C ATOM 1468 O THR A 99 -15.196 -0.058 -13.244 1.00 0.00 O ATOM 1469 CB THR A 99 -13.731 2.181 -11.343 1.00 0.00 C ATOM 1470 OG1 THR A 99 -14.592 3.202 -10.826 1.00 0.00 O ATOM 1471 CG2 THR A 99 -13.446 2.448 -12.814 1.00 0.00 C ATOM 0 H THR A 99 -13.232 -0.668 -12.115 1.00 0.00 H new ATOM 0 HA THR A 99 -14.853 0.756 -10.172 1.00 0.00 H new ATOM 0 HB THR A 99 -12.787 2.192 -10.798 1.00 0.00 H new ATOM 0 HG1 THR A 99 -14.170 4.078 -10.948 1.00 0.00 H new ATOM 0 HG21 THR A 99 -12.987 3.430 -12.923 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.768 1.686 -13.197 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.379 2.419 -13.376 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.623 1.160 -12.003 1.00 0.00 N ATOM 1480 CA TYR A 100 -17.723 1.040 -12.953 1.00 0.00 C ATOM 1481 C TYR A 100 -17.555 2.024 -14.107 1.00 0.00 C ATOM 1482 O TYR A 100 -17.195 3.186 -13.919 1.00 0.00 O ATOM 1483 CB TYR A 100 -19.060 1.284 -12.251 1.00 0.00 C ATOM 1484 CG TYR A 100 -19.193 0.555 -10.933 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -19.494 -0.801 -10.894 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -19.020 1.222 -9.727 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -19.618 -1.471 -9.692 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -19.140 0.560 -8.521 1.00 0.00 C ATOM 1489 CZ TYR A 100 -19.439 -0.786 -8.508 1.00 0.00 C ATOM 1490 OH TYR A 100 -19.561 -1.449 -7.309 1.00 0.00 O ATOM 0 H TYR A 100 -16.843 1.706 -11.170 1.00 0.00 H new ATOM 0 HA TYR A 100 -17.712 0.028 -13.357 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -19.181 2.354 -12.079 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -19.870 0.974 -12.912 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -19.633 -1.341 -11.819 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -18.788 2.277 -9.733 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -19.854 -2.525 -9.679 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -19.000 1.094 -7.593 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.404 -0.823 -6.572 1.00 0.00 H new ATOM 1500 N PRO A 101 -17.824 1.548 -15.332 1.00 0.00 N ATOM 1501 CA PRO A 101 -17.711 2.368 -16.542 1.00 0.00 C ATOM 1502 C PRO A 101 -18.790 3.443 -16.616 1.00 0.00 C ATOM 1503 O PRO A 101 -19.974 3.159 -16.437 1.00 0.00 O ATOM 1504 CB PRO A 101 -17.887 1.355 -17.675 1.00 0.00 C ATOM 1505 CG PRO A 101 -18.679 0.246 -17.072 1.00 0.00 C ATOM 1506 CD PRO A 101 -18.258 0.173 -15.631 1.00 0.00 C ATOM 0 HA PRO A 101 -16.766 2.910 -16.580 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -18.408 1.797 -18.524 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.924 1.000 -18.042 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -19.748 0.439 -17.157 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -18.484 -0.696 -17.584 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -19.081 -0.138 -14.987 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -17.450 -0.544 -15.484 1.00 0.00 H new ATOM 1514 N GLU A 102 -18.373 4.677 -16.881 1.00 0.00 N ATOM 1515 CA GLU A 102 -19.306 5.794 -16.979 1.00 0.00 C ATOM 1516 C GLU A 102 -19.852 5.925 -18.397 1.00 0.00 C ATOM 1517 O GLU A 102 -19.403 5.235 -19.314 1.00 0.00 O ATOM 1518 CB GLU A 102 -18.620 7.097 -16.562 1.00 0.00 C ATOM 1519 CG GLU A 102 -18.658 7.353 -15.065 1.00 0.00 C ATOM 1520 CD GLU A 102 -17.487 6.724 -14.336 1.00 0.00 C ATOM 1521 OE1 GLU A 102 -16.335 7.122 -14.608 1.00 0.00 O ATOM 1522 OE2 GLU A 102 -17.723 5.833 -13.493 1.00 0.00 O ATOM 0 H GLU A 102 -17.396 4.929 -17.032 1.00 0.00 H new ATOM 0 HA GLU A 102 -20.140 5.598 -16.305 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.581 7.072 -16.892 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -19.098 7.930 -17.077 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -18.659 8.428 -14.884 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -19.589 6.960 -14.656 1.00 0.00 H new ATOM 1529 N LEU A 103 -20.824 6.813 -18.571 1.00 0.00 N ATOM 1530 CA LEU A 103 -21.433 7.035 -19.878 1.00 0.00 C ATOM 1531 C LEU A 103 -20.761 8.197 -20.602 1.00 0.00 C ATOM 1532 O LEU A 103 -21.207 8.617 -21.669 1.00 0.00 O ATOM 1533 CB LEU A 103 -22.930 7.312 -19.724 1.00 0.00 C ATOM 1534 CG LEU A 103 -23.344 8.085 -18.472 1.00 0.00 C ATOM 1535 CD1 LEU A 103 -22.600 9.408 -18.390 1.00 0.00 C ATOM 1536 CD2 LEU A 103 -24.849 8.315 -18.461 1.00 0.00 C ATOM 0 H LEU A 103 -21.208 7.391 -17.824 1.00 0.00 H new ATOM 0 HA LEU A 103 -21.296 6.132 -20.474 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -23.268 7.868 -20.598 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -23.458 6.358 -19.729 1.00 0.00 H new ATOM 0 HG LEU A 103 -23.081 7.490 -17.598 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -22.908 9.944 -17.492 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -21.527 9.220 -18.350 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -22.831 10.010 -19.269 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -25.126 8.867 -17.563 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -25.136 8.889 -19.342 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -25.364 7.354 -18.470 1.00 0.00 H new ATOM 1548 N GLU A 104 -19.685 8.711 -20.014 1.00 0.00 N ATOM 1549 CA GLU A 104 -18.951 9.824 -20.605 1.00 0.00 C ATOM 1550 C GLU A 104 -17.828 9.318 -21.506 1.00 0.00 C ATOM 1551 O GLU A 104 -16.859 10.030 -21.765 1.00 0.00 O ATOM 1552 CB GLU A 104 -18.375 10.723 -19.509 1.00 0.00 C ATOM 1553 CG GLU A 104 -17.475 9.988 -18.529 1.00 0.00 C ATOM 1554 CD GLU A 104 -16.420 10.888 -17.918 1.00 0.00 C ATOM 1555 OE1 GLU A 104 -15.654 11.510 -18.683 1.00 0.00 O ATOM 1556 OE2 GLU A 104 -16.360 10.971 -16.673 1.00 0.00 O ATOM 0 H GLU A 104 -19.303 8.375 -19.130 1.00 0.00 H new ATOM 0 HA GLU A 104 -19.647 10.403 -21.212 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -17.809 11.531 -19.973 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -19.196 11.184 -18.960 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -18.084 9.558 -17.734 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -16.987 9.159 -19.041 1.00 0.00 H new ATOM 1563 N GLU A 105 -17.967 8.083 -21.979 1.00 0.00 N ATOM 1564 CA GLU A 105 -16.964 7.482 -22.849 1.00 0.00 C ATOM 1565 C GLU A 105 -17.619 6.583 -23.894 1.00 0.00 C ATOM 1566 O GLU A 105 -18.722 6.078 -23.691 1.00 0.00 O ATOM 1567 CB GLU A 105 -15.959 6.675 -22.025 1.00 0.00 C ATOM 1568 CG GLU A 105 -16.523 5.372 -21.483 1.00 0.00 C ATOM 1569 CD GLU A 105 -15.441 4.363 -21.149 1.00 0.00 C ATOM 1570 OE1 GLU A 105 -14.820 4.493 -20.073 1.00 0.00 O ATOM 1571 OE2 GLU A 105 -15.216 3.443 -21.963 1.00 0.00 O ATOM 0 H GLU A 105 -18.764 7.480 -21.774 1.00 0.00 H new ATOM 0 HA GLU A 105 -16.438 8.286 -23.364 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.089 6.455 -22.643 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.612 7.286 -21.191 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -17.111 5.579 -20.589 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -17.203 4.941 -22.218 1.00 0.00 H new ATOM 1578 N GLY A 106 -16.930 6.390 -25.015 1.00 0.00 N ATOM 1579 CA GLY A 106 -17.459 5.553 -26.076 1.00 0.00 C ATOM 1580 C GLY A 106 -17.716 6.329 -27.353 1.00 0.00 C ATOM 1581 O GLY A 106 -16.780 6.719 -28.050 1.00 0.00 O ATOM 0 H GLY A 106 -16.015 6.798 -25.207 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -16.757 4.744 -26.281 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -18.388 5.092 -25.742 1.00 0.00 H new ATOM 1585 N VAL A 107 -18.990 6.553 -27.661 1.00 0.00 N ATOM 1586 CA VAL A 107 -19.368 7.287 -28.863 1.00 0.00 C ATOM 1587 C VAL A 107 -19.568 8.768 -28.562 1.00 0.00 C ATOM 1588 O VAL A 107 -20.649 9.186 -28.150 1.00 0.00 O ATOM 1589 CB VAL A 107 -20.659 6.721 -29.484 1.00 0.00 C ATOM 1590 CG1 VAL A 107 -21.085 7.555 -30.682 1.00 0.00 C ATOM 1591 CG2 VAL A 107 -20.466 5.265 -29.878 1.00 0.00 C ATOM 0 H VAL A 107 -19.777 6.237 -27.095 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.551 7.171 -29.575 1.00 0.00 H new ATOM 0 HB VAL A 107 -21.452 6.769 -28.738 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -21.999 7.140 -31.108 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -21.266 8.582 -30.365 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -20.296 7.542 -31.434 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -21.388 4.881 -30.315 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -19.660 5.189 -30.607 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -20.212 4.680 -28.994 1.00 0.00 H new ATOM 1601 N GLU A 108 -18.518 9.556 -28.771 1.00 0.00 N ATOM 1602 CA GLU A 108 -18.580 10.992 -28.522 1.00 0.00 C ATOM 1603 C GLU A 108 -19.118 11.733 -29.742 1.00 0.00 C ATOM 1604 O GLU A 108 -19.195 11.176 -30.837 1.00 0.00 O ATOM 1605 CB GLU A 108 -17.194 11.528 -28.155 1.00 0.00 C ATOM 1606 CG GLU A 108 -16.249 11.632 -29.340 1.00 0.00 C ATOM 1607 CD GLU A 108 -16.442 12.912 -30.130 1.00 0.00 C ATOM 1608 OE1 GLU A 108 -16.092 13.990 -29.606 1.00 0.00 O ATOM 1609 OE2 GLU A 108 -16.943 12.836 -31.271 1.00 0.00 O ATOM 0 H GLU A 108 -17.615 9.225 -29.112 1.00 0.00 H new ATOM 0 HA GLU A 108 -19.260 11.162 -27.687 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -17.303 12.513 -27.700 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -16.749 10.877 -27.402 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -15.220 11.581 -28.985 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -16.402 10.777 -29.998 1.00 0.00 H new ATOM 1616 N SER A 109 -19.490 12.994 -29.544 1.00 0.00 N ATOM 1617 CA SER A 109 -20.026 13.812 -30.627 1.00 0.00 C ATOM 1618 C SER A 109 -19.298 15.150 -30.707 1.00 0.00 C ATOM 1619 O SER A 109 -19.408 15.985 -29.810 1.00 0.00 O ATOM 1620 CB SER A 109 -21.524 14.045 -30.425 1.00 0.00 C ATOM 1621 OG SER A 109 -22.264 12.867 -30.695 1.00 0.00 O ATOM 0 H SER A 109 -19.430 13.471 -28.645 1.00 0.00 H new ATOM 0 HA SER A 109 -19.872 13.277 -31.564 1.00 0.00 H new ATOM 0 HB2 SER A 109 -21.710 14.368 -29.401 1.00 0.00 H new ATOM 0 HB3 SER A 109 -21.862 14.849 -31.079 1.00 0.00 H new ATOM 0 HG SER A 109 -23.218 13.041 -30.557 1.00 0.00 H new ATOM 1627 N GLY A 110 -18.553 15.347 -31.791 1.00 0.00 N ATOM 1628 CA GLY A 110 -17.817 16.585 -31.970 1.00 0.00 C ATOM 1629 C GLY A 110 -17.212 17.093 -30.676 1.00 0.00 C ATOM 1630 O GLY A 110 -16.162 16.627 -30.232 1.00 0.00 O ATOM 0 H GLY A 110 -18.446 14.672 -32.548 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -17.024 16.430 -32.702 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -18.484 17.344 -32.378 1.00 0.00 H new ATOM 1634 N PRO A 111 -17.881 18.072 -30.049 1.00 0.00 N ATOM 1635 CA PRO A 111 -17.420 18.665 -28.791 1.00 0.00 C ATOM 1636 C PRO A 111 -17.539 17.699 -27.617 1.00 0.00 C ATOM 1637 O PRO A 111 -18.566 17.043 -27.442 1.00 0.00 O ATOM 1638 CB PRO A 111 -18.358 19.859 -28.597 1.00 0.00 C ATOM 1639 CG PRO A 111 -19.593 19.496 -29.347 1.00 0.00 C ATOM 1640 CD PRO A 111 -19.139 18.675 -30.521 1.00 0.00 C ATOM 0 HA PRO A 111 -16.365 18.936 -28.831 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -18.571 20.028 -27.541 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -17.915 20.777 -28.984 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -20.280 18.930 -28.717 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -20.125 20.388 -29.677 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -19.873 17.915 -30.788 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -18.982 19.292 -31.406 1.00 0.00 H new ATOM 1648 N SER A 112 -16.482 17.616 -26.815 1.00 0.00 N ATOM 1649 CA SER A 112 -16.467 16.727 -25.660 1.00 0.00 C ATOM 1650 C SER A 112 -16.340 17.522 -24.364 1.00 0.00 C ATOM 1651 O SER A 112 -15.236 17.748 -23.867 1.00 0.00 O ATOM 1652 CB SER A 112 -15.314 15.727 -25.773 1.00 0.00 C ATOM 1653 OG SER A 112 -15.307 14.830 -24.676 1.00 0.00 O ATOM 0 H SER A 112 -15.625 18.154 -26.944 1.00 0.00 H new ATOM 0 HA SER A 112 -17.411 16.182 -25.641 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.404 15.167 -26.704 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.366 16.263 -25.814 1.00 0.00 H new ATOM 0 HG SER A 112 -14.562 14.201 -24.773 1.00 0.00 H new ATOM 1659 N SER A 113 -17.477 17.944 -23.821 1.00 0.00 N ATOM 1660 CA SER A 113 -17.495 18.717 -22.585 1.00 0.00 C ATOM 1661 C SER A 113 -17.186 17.829 -21.384 1.00 0.00 C ATOM 1662 O SER A 113 -17.720 16.728 -21.259 1.00 0.00 O ATOM 1663 CB SER A 113 -18.856 19.391 -22.399 1.00 0.00 C ATOM 1664 OG SER A 113 -19.860 18.437 -22.098 1.00 0.00 O ATOM 0 H SER A 113 -18.399 17.763 -24.218 1.00 0.00 H new ATOM 0 HA SER A 113 -16.724 19.485 -22.655 1.00 0.00 H new ATOM 0 HB2 SER A 113 -18.795 20.125 -21.596 1.00 0.00 H new ATOM 0 HB3 SER A 113 -19.124 19.932 -23.306 1.00 0.00 H new ATOM 0 HG SER A 113 -20.720 18.893 -21.982 1.00 0.00 H new ATOM 1670 N GLY A 114 -16.319 18.317 -20.502 1.00 0.00 N ATOM 1671 CA GLY A 114 -15.953 17.555 -19.322 1.00 0.00 C ATOM 1672 C GLY A 114 -15.013 18.317 -18.409 1.00 0.00 C ATOM 1673 O GLY A 114 -13.959 18.785 -18.842 1.00 0.00 O ATOM 0 H GLY A 114 -15.864 19.226 -20.583 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -16.855 17.290 -18.770 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -15.480 16.622 -19.628 1.00 0.00 H new TER 1677 GLY A 114